O3,O5-dimethyl O4-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate

Systemtic Name: O3,O5-dimethyl O4-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O3,O5-dimethyl O4-[2-(3-methylanilino)-2-oxo-ethyl] (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-dimethyl ester O4-[2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: 3-O,5-O-dimethyl 4-O-[2-(3-methylanilino)-2-oxoethyl] (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-keto-2-(m-toluidino)ethyl] ester O3,O5-dimethyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C2C(C(=NC(=C2C(=O)OC)C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)[C@@H]2C(C(=NC(=C2C(=O)OC)C)C)C(=O)OC

InChI

InChI=1S/C21H24N2O7/c1-11-7-6-8-14(9-11)23-15(24)10-30-21(27)18-16(19(25)28-4)12(2)22-13(3)17(18)20(26)29-5/h6-9,16,18H,10H2,1-5H3,(H,23,24)/t16?,18-/m1/s1