2-[4-[2-acetamidoethyl(methyl)amino]-2-oxidanyl-cyclohexa-2,4-dien-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-[2-acetamidoethyl(methyl)amino]-2-oxidanyl-cyclohexa-2,4-dien-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-[2-acetamidoethyl(methyl)amino]-2-hydroxy-cyclohexa-2,4-diene-1-carbonyl]benzoic acid CAS Name: 2-[[4-[2-acetamidoethyl(methyl)amino]-2-hydroxy-1-cyclohexa-2,4-dienyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[2-acetamidoethyl(methyl)amino]-2-hydroxycyclohexa-2,4-diene-1-carbonyl]benzoic acid Traditional Name: 2-[4-[2-acetamidoethyl(methyl)amino]-2-hydroxy-cyclohexa-2,4-diene-1-carbonyl]benzoic acid Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN(C)C1=CCC(C(=C1)O)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(=O)NCCN(C)C1=CCC(C(=C1)O)C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H22N2O5/c1-12(22)20-9-10-21(2)13-7-8-16(17(23)11-13)18(24)14-5-3-4-6-15(14)19(25)26/h3-7,11,16,23H,8-10H2,1-2H3,(H,20,22)(H,25,26)