4-[(5-chloranyl-4,4-dimethyl-2,3-dihydrochromen-7-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(5-chloranyl-4,4-dimethyl-2,3-dihydrochromen-7-yl)carbonylamino]benzoic acid Openeye Name: 4-[(5-chloro-4,4-dimethyl-chromane-7-carbonyl)amino]benzoic acid CAS Name: 4-[[(5-chloro-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(5-chloro-4,4-dimethyl-2,3-dihydrochromene-7-carbonyl)amino]benzoic acid Traditional Name: 4-[(5-chloro-4,4-dimethyl-chroman-7-carbonyl)amino]benzoic acid Formula: C19H18ClNO4 MolecularWeight: 359.80352

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C(=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)Cl)C

Isomeric SMILES

CC1(CCOC2=C1C(=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)Cl)C

InChI

InChI=1S/C19H18ClNO4/c1-19(2)7-8-25-15-10-12(9-14(20)16(15)19)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)