O5-[1-[1-(diphenylmethyl)piperazin-2-yl]propan-2-yl] O3-methyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-[1-[1-(diphenylmethyl)piperazin-2-yl]propan-2-yl] O3-methyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[2-(1-benzhydrylpiperazin-2-yl)-1-methyl-ethyl] O3-methyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-[1-(diphenylmethyl)-2-piperazinyl]propan-2-yl] ester O3-methyl ester IUPAC Name: 5-O-[1-(1-benzhydrylpiperazin-2-yl)propan-2-yl] 3-O-methyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-(1-benzhydrylpiperazin-2-yl)-1-methyl-ethyl] ester O3-methyl ester Formula: C38H41N3O4 MolecularWeight: 603.74984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)CC2CNCCN2C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC(=C5)C#C)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)CC2CNCCN2C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC(=C5)C#C)C(=O)OC

InChI

InChI=1S/C38H41N3O4/c1-6-28-14-13-19-31(23-28)35-33(37(42)44-5)26(3)40-27(4)34(35)38(43)45-25(2)22-32-24-39-20-21-41(32)36(29-15-9-7-10-16-29)30-17-11-8-12-18-30/h1,7-19,23,25,32,35-36,39-40H,20-22,24H2,2-5H3