4-[[1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-(4-ethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]-3-methyl-benzoic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-3-14-4-7-17(8-5-14)23-12-16(11-19(23)24)20(25)22-18-9-6-15(21(26)27)10-13(18)2/h4-10,16H,3,11-12H2,1-2H3,(H,22,25)(H,26,27)