dimethyl 4-[2,6-bis(chloranyl)phenyl]-2-[2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl]-6-[2-[2-[2-[(triphenylmethyl)amino]ethoxymethyl]phenyl]ethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-[2,6-bis(chloranyl)phenyl]-2-[2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl]-6-[2-[2-[2-[(triphenylmethyl)amino]ethoxymethyl]phenyl]ethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(2,6-dichlorophenyl)-2-[2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]-2-oxo-ethyl]-6-[2-[2-[2-(tritylamino)ethoxymethyl]phenyl]ethyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2,6-dichlorophenyl)-2-[2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-piperazinyl]-2-oxoethyl]-6-[2-[2-[2-[(triphenylmethyl)amino]ethoxymethyl]phenyl]ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(2,6-dichlorophenyl)-2-[2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]-2-oxoethyl]-6-[2-[2-[2-(tritylamino)ethoxymethyl]phenyl]ethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2,6-dichlorophenyl)-2-[2-keto-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazino]ethyl]-6-[2-[2-[2-(tritylamino)ethoxymethyl]phenyl]ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C59H65Cl2N5O6 MolecularWeight: 1011.0833

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)N3CCN(CC3)C(=O)CC4=C(C(C(=C(N4)CCC5=CC=CC=C5COCCNC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OC)C9=C(C=CC=C9Cl)Cl)C(=O)OC

Isomeric SMILES

CN1[C@@H]2CC[C@H]1CC(C2)N3CCN(CC3)C(=O)CC4=C(C(C(=C(N4)CCC5=CC=CC=C5COCCNC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OC)C9=C(C=CC=C9Cl)Cl)C(=O)OC

InChI

InChI=1S/C59H65Cl2N5O6/c1-64-45-27-28-46(64)37-47(36-45)65-31-33-66(34-32-65)52(67)38-51-55(58(69)71-3)56(53-48(60)24-15-25-49(53)61)54(57(68)70-2)50(63-51)29-26-40-16-13-14-17-41(40)39-72-35-30-62-59(42-18-7-4-8-19-42,43-20-9-5-10-21-43)44-22-11-6-12-23-44/h4-25,45-47,56,62-63H,26-39H2,1-3H3/t45-,46+,47?,56?