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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C(=O)OCC(=O)NCC2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OC)C(=O)OCC(=O)NCC2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C21H24N2O7/c1-12-16(19(25)28-3)18(17(13(2)23-12)20(26)29-4)21(27)30-11-15(24)22-10-14-8-6-5-7-9-14/h5-9,16,18H,10-11H2,1-4H3,(H,22,24)/t16?,18-/m0/s1