1-ethyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-2-(phenylmethyl)-3,4-dihydropyridine-3-carboxylate; methanamine

Systemtic Name: 1-ethyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-2-(phenylmethyl)-3,4-dihydropyridine-3-carboxylate; methanamine Openeye Name: 2-benzyl-1-ethyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylate; methanamine CAS Name: 1-ethyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-2-(phenylmethyl)-3,4-dihydropyridine-3-carboxylate; methanamine IUPAC Name: 2-benzyl-1-ethyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylate; methanamine Traditional Name: 2-benzyl-5-carbomethoxy-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylate; methylamine Formula: C26H32N3O6- MolecularWeight: 482.54878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(C(C1(C)CC2=CC=CC=C2)C(=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C.CN

Isomeric SMILES

CCN1C(=C(C(C(C1(C)CC2=CC=CC=C2)C(=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C.CN

InChI

InChI=1S/C25H28N2O6.CH5N/c1-5-26-16(2)20(24(30)33-4)21(18-12-9-13-19(14-18)27(31)32)22(23(28)29)25(26,3)15-17-10-7-6-8-11-17;1-2/h6-14,21-22H,5,15H2,1-4H3,(H,28,29);2H2,1H3/p-1