methyl 5-(2,6-dimethyl-1,4-dihydropyridin-4-yl)-3-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-2-nitro-benzoate

Systemtic Name: methyl 5-(2,6-dimethyl-1,4-dihydropyridin-4-yl)-3-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-2-nitro-benzoate Openeye Name: methyl 5-(2,6-dimethyl-1,4-dihydropyridin-4-yl)-3-[3-(4,4-diphenyl-1-piperidyl)propylcarbamoyl]-2-nitro-benzoate CAS Name: 5-(2,6-dimethyl-1,4-dihydropyridin-4-yl)-3-[[3-(4,4-diphenyl-1-piperidinyl)propylamino]-oxomethyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-(2,6-dimethyl-1,4-dihydropyridin-4-yl)-3-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-2-nitrobenzoate Traditional Name: 5-(2,6-dimethyl-1,4-dihydropyridin-4-yl)-3-[3-(4,4-diphenylpiperidino)propylcarbamoyl]-2-nitro-benzoic acid methyl ester Formula: C36H40N4O5 MolecularWeight: 608.7266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C=C(N1)C)C2=CC(=C(C(=C2)C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(C=C(N1)C)C2=CC(=C(C(=C2)C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C36H40N4O5/c1-25-21-27(22-26(2)38-25)28-23-31(33(40(43)44)32(24-28)35(42)45-3)34(41)37-17-10-18-39-19-15-36(16-20-39,29-11-6-4-7-12-29)30-13-8-5-9-14-30/h4-9,11-14,21-24,27,38H,10,15-20H2,1-3H3,(H,37,41)