tert-butyl 6-[4-(4,4-diphenylpiperidin-1-yl)butyl]-5-ethanoyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: tert-butyl 6-[4-(4,4-diphenylpiperidin-1-yl)butyl]-5-ethanoyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl 5-acetyl-6-[4-(4,4-diphenyl-1-piperidyl)butyl]-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-acetyl-6-[4-(4,4-diphenyl-1-piperidinyl)butyl]-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-acetyl-6-[4-(4,4-diphenylpiperidin-1-yl)butyl]-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-acetyl-6-[4-(4,4-diphenylpiperidino)butyl]-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C40H47N3O5 MolecularWeight: 649.81828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)CCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C40H47N3O5/c1-28-35(38(45)48-39(3,4)5)37(30-15-14-20-33(27-30)43(46)47)36(29(2)44)34(41-28)21-12-13-24-42-25-22-40(23-26-42,31-16-8-6-9-17-31)32-18-10-7-11-19-32/h6-11,14-20,27,37,41H,12-13,21-26H2,1-5H3