nonyl 5-(cyclopentylcarbamoyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: nonyl 5-(cyclopentylcarbamoyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: nonyl 5-(cyclopentylcarbamoyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[(cyclopentylamino)-oxomethyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid nonyl ester IUPAC Name: nonyl 5-(cyclopentylcarbamoyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(cyclopentylcarbamoyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid nonyl ester Formula: C27H37N3O5 MolecularWeight: 483.59978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=CNC=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3CCCC3

Isomeric SMILES

CCCCCCCCCOC(=O)C1=CNC=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3CCCC3

InChI

InChI=1S/C27H37N3O5/c1-2-3-4-5-6-7-12-17-35-27(32)23-19-28-18-22(26(31)29-20-13-8-9-14-20)25(23)21-15-10-11-16-24(21)30(33)34/h10-11,15-16,18-20,25,28H,2-9,12-14,17H2,1H3,(H,29,31)