4-[(8-chloranyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(8-chloranyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)carbonylamino]benzoic acid Openeye Name: 4-[(8-chloro-4,4-dimethyl-chromane-6-carbonyl)amino]benzoic acid CAS Name: 4-[[(8-chloro-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(8-chloro-4,4-dimethyl-2,3-dihydrochromene-6-carbonyl)amino]benzoic acid Traditional Name: 4-[(8-chloro-4,4-dimethyl-chroman-6-carbonyl)amino]benzoic acid Formula: C19H18ClNO4 MolecularWeight: 359.80352

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C=C(C=C2Cl)C(=O)NC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CCOC2=C1C=C(C=C2Cl)C(=O)NC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C19H18ClNO4/c1-19(2)7-8-25-16-14(19)9-12(10-15(16)20)17(22)21-13-5-3-11(4-6-13)18(23)24/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)(H,23,24)