dimethyl 4-[2-(4-butoxybutoxy)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; N-methyl-1-phenyl-methanamine

Systemtic Name: dimethyl 4-[2-(4-butoxybutoxy)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; N-methyl-1-phenyl-methanamine Openeye Name: dimethyl 4-[2-(4-butoxybutoxy)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; N-methyl-1-phenyl-methanamine CAS Name: 4-[2-(4-butoxybutoxy)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester; N-methyl-1-phenylmethanamine IUPAC Name: dimethyl 4-[2-(4-butoxybutoxy)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; N-methyl-1-phenylmethanamine Traditional Name: benzyl(methyl)amine; 4-[2-(4-butoxybutoxy)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C33H45N3O8 MolecularWeight: 611.7257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC.CNCC1=CC=CC=C1

Isomeric SMILES

CCCCOCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC.CNCC1=CC=CC=C1

InChI

InChI=1S/C25H34N2O8.C8H11N/c1-6-7-12-34-13-8-9-14-35-20-11-10-18(27(30)31)15-19(20)23-21(24(28)32-4)16(2)26-17(3)22(23)25(29)33-5;1-9-7-8-5-3-2-4-6-8/h10-11,15,23,26H,6-9,12-14H2,1-5H3;2-6,9H,7H2,1H3