4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carbonyl]amino]-3-methyl-benzoic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H20N2O6/c1-12-8-13(21(26)27)2-4-16(12)22-20(25)14-9-19(24)23(11-14)15-3-5-17-18(10-15)29-7-6-28-17/h2-5,8,10,14H,6-7,9,11H2,1H3,(H,22,25)(H,26,27)