O5-hexyl O3-[1-(phenylmethyl)pyrrolidin-3-yl] 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-hexyl O3-[1-(phenylmethyl)pyrrolidin-3-yl] 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(1-benzylpyrrolidin-3-yl) O5-hexyl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-hexyl ester O3-[1-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: 3-O-(1-benzylpyrrolidin-3-yl) 5-O-hexyl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(1-benzylpyrrolidin-3-yl) ester O5-hexyl ester Formula: C31H38N4O6 MolecularWeight: 562.65662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCN(C3)CC4=CC=CC=C4)N)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCN(C3)CC4=CC=CC=C4)N)C

InChI

InChI=1S/C31H38N4O6/c1-3-4-5-9-17-40-30(36)26-21(2)33-29(32)28(27(26)23-13-10-14-24(18-23)35(38)39)31(37)41-25-15-16-34(20-25)19-22-11-7-6-8-12-22/h6-8,10-14,18,25,27,33H,3-5,9,15-17,19-20,32H2,1-2H3