ethyl (3S,4S)-4-(4-dimethylaminophenyl)-5,5-dimethyl-1-(4-methylphenyl)-2,6-bis(oxidanylidene)piperidine-3-carboxylate

Systemtic Name: ethyl (3S,4S)-4-(4-dimethylaminophenyl)-5,5-dimethyl-1-(4-methylphenyl)-2,6-bis(oxidanylidene)piperidine-3-carboxylate Openeye Name: ethyl (3S,4S)-4-(4-dimethylaminophenyl)-5,5-dimethyl-2,6-dioxo-1-(p-tolyl)piperidine-3-carboxylate CAS Name: (3S,4S)-4-(4-dimethylaminophenyl)-5,5-dimethyl-1-(4-methylphenyl)-2,6-dioxo-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S)-4-(4-dimethylaminophenyl)-5,5-dimethyl-1-(4-methylphenyl)-2,6-dioxopiperidine-3-carboxylate Traditional Name: (3S,4S)-4-(4-dimethylaminophenyl)-2,6-diketo-5,5-dimethyl-1-(p-tolyl)nipecotic acid ethyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(=O)N(C1=O)C2=CC=C(C=C2)C)(C)C)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](C(C(=O)N(C1=O)C2=CC=C(C=C2)C)(C)C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C25H30N2O4/c1-7-31-23(29)20-21(17-10-14-18(15-11-17)26(5)6)25(3,4)24(30)27(22(20)28)19-12-8-16(2)9-13-19/h8-15,20-21H,7H2,1-6H3/t20-,21+/m0/s1