5-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-[3-(4-methoxycarbonyl-4-phenyl-1-piperidyl)propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[[3-(4-methoxycarbonyl-4-phenyl-1-piperidinyl)propylamino]-oxomethyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-[3-(4-methoxycarbonyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[3-(4-carbomethoxy-4-phenyl-piperidino)propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C31H36N4O7 MolecularWeight: 576.64014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N4O7/c1-20-25(27(26(29(37)38)21(2)33-20)22-10-12-24(13-11-22)35(40)41)28(36)32-16-7-17-34-18-14-31(15-19-34,30(39)42-3)23-8-5-4-6-9-23/h4-6,8-13,27,33H,7,14-19H2,1-3H3,(H,32,36)(H,37,38)