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

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] (3S)-5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] (3S)-5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenethyl-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:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O4/c1-25(2,3)20-9-11-21(12-10-20)26-22(28)17-31-24(30)19-15-23(29)27(16-19)14-13-18-7-5-4-6-8-18/h4-12,19H,13-17H2,1-3H3,(H,26,28)/t19-/m0/s1