5-decoxycarbonyl-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-2-(phenylmethyl)-3,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-decoxycarbonyl-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-2-(phenylmethyl)-3,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-benzyl-5-decoxycarbonyl-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[decoxy(oxo)methyl]-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-2-(phenylmethyl)-3,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-benzyl-5-decoxycarbonyl-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-benzyl-5-decoxycarbonyl-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylic acid Formula: C34H46N2O6 MolecularWeight: 578.73884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=C(N(C(C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)(C)CC3=CC=CC=C3)CC)C

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=C(N(C(C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)(C)CC3=CC=CC=C3)CC)C

InChI

InChI=1S/C34H46N2O6/c1-5-7-8-9-10-11-12-16-22-42-33(39)29-25(3)35(6-2)34(4,24-26-18-14-13-15-19-26)31(32(37)38)30(29)27-20-17-21-28(23-27)36(40)41/h13-15,17-21,23,30-31H,5-12,16,22,24H2,1-4H3,(H,37,38)