O5-tert-butyl O3-methyl 4-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-tert-butyl O3-methyl 4-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-tert-butyl O3-methyl 4-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-[[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propylamino]-oxomethyl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-tert-butyl ester O3-methyl ester IUPAC Name: 5-O-tert-butyl 3-O-methyl 4-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-[3-[4-(2-methoxyphenyl)piperazino]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-tert-butyl ester O3-methyl ester Formula: C35H47N5O6 MolecularWeight: 633.77758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC(=CC=C2)NC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC(=CC=C2)NC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C(=O)OC

InChI

InChI=1S/C35H47N5O6/c1-23-29(32(41)45-7)31(30(24(2)37-23)33(42)46-35(3,4)5)25-12-10-13-26(22-25)38-34(43)36-16-11-17-39-18-20-40(21-19-39)27-14-8-9-15-28(27)44-6/h8-10,12-15,22,31,37H,11,16-21H2,1-7H3,(H2,36,38,43)