propan-2-yl 4-[[(3S)-1-(3,5-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[[(3S)-1-(3,5-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: isopropyl 4-[[(3S)-1-(3,5-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(3,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(3S)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(3,5-dimethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid isopropyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C[C@H](CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C

InChI

InChI=1S/C23H26N2O4/c1-14(2)29-23(28)17-5-7-19(8-6-17)24-22(27)18-12-21(26)25(13-18)20-10-15(3)9-16(4)11-20/h5-11,14,18H,12-13H2,1-4H3,(H,24,27)/t18-/m0/s1