4-[[(3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[(3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(3S)-1-(2,6-diethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[(3S)-1-(2,6-diethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(3S)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[(3S)-1-(2,6-diethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-3-14-6-5-7-15(4-2)20(14)24-13-17(12-19(24)25)21(26)23-18-10-8-16(9-11-18)22(27)28/h5-11,17H,3-4,12-13H2,1-2H3,(H,23,26)(H,27,28)/t17-/m0/s1