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

Systemtic Name: 4-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)carbamoyl]benzoic acid Openeye Name: 4-[(4,4-dimethylchroman-6-yl)carbamoyl]benzoic acid CAS Name: 4-[[(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-[(4,4-dimethyl-2,3-dihydrochromen-6-yl)carbamoyl]benzoic acid Traditional Name: 4-[(4,4-dimethylchroman-6-yl)carbamoyl]benzoic acid Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CCOC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C19H19NO4/c1-19(2)9-10-24-16-8-7-14(11-15(16)19)20-17(21)12-3-5-13(6-4-12)18(22)23/h3-8,11H,9-10H2,1-2H3,(H,20,21)(H,22,23)