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

Systemtic Name: O3-[1-(diphenylmethyl)azetidin-3-yl] O5-hexyl 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(1-benzhydrylazetidin-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 O3-[1-(diphenylmethyl)-3-azetidinyl] ester O5-hexyl ester IUPAC Name: 3-O-(1-benzhydrylazetidin-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-benzhydrylazetidin-3-yl) ester O5-hexyl ester Formula: C36H40N4O6 MolecularWeight: 624.726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CN(C3)C(C4=CC=CC=C4)C5=CC=CC=C5)N)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CN(C3)C(C4=CC=CC=C4)C5=CC=CC=C5)N)C

InChI

InChI=1S/C36H40N4O6/c1-3-4-5-12-20-45-35(41)30-24(2)38-34(37)32(31(30)27-18-13-19-28(21-27)40(43)44)36(42)46-29-22-39(23-29)33(25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-11,13-19,21,29,31,33,38H,3-5,12,20,22-23,37H2,1-2H3