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

Systemtic Name: 4-azanyl-3-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)carbonylamino]benzoic acid Openeye Name: 4-amino-3-[(4,4-dimethylchromane-6-carbonyl)amino]benzoic acid CAS Name: 4-amino-3-[[(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-amino-3-[(4,4-dimethyl-2,3-dihydrochromene-6-carbonyl)amino]benzoic acid Traditional Name: 4-amino-3-[(4,4-dimethylchroman-6-carbonyl)amino]benzoic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4/c1-19(2)7-8-25-16-6-4-11(9-13(16)19)17(22)21-15-10-12(18(23)24)3-5-14(15)20/h3-6,9-10H,7-8,20H2,1-2H3,(H,21,22)(H,23,24)