[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] (3S)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] (3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H30N2O4/c1-5-17-6-12-21(13-7-17)27-15-18(14-23(27)29)24(30)31-16-22(28)26-20-10-8-19(9-11-20)25(2,3)4/h6-13,18H,5,14-16H2,1-4H3,(H,26,28)/t18-/m0/s1