3-[(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoyl]naphthalene-2-carboxylic acid

Systemtic Name: 3-[(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoyl]naphthalene-2-carboxylic acid Openeye Name: 3-[(6,6-dimethyl-5,7-dihydro-4H-benzofuran-4-yl)carbamoyl]naphthalene-2-carboxylic acid CAS Name: 3-[[(6,6-dimethyl-5,7-dihydro-4H-benzofuran-4-yl)amino]-oxomethyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-[(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoyl]naphthalene-2-carboxylic acid Traditional Name: 3-[(6,6-dimethyl-5,7-dihydro-4H-benzofuran-4-yl)carbamoyl]-2-naphthoic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C1)OC=C2)NC(=O)C3=CC4=CC=CC=C4C=C3C(=O)O)C

Isomeric SMILES

CC1(CC(C2=C(C1)OC=C2)NC(=O)C3=CC4=CC=CC=C4C=C3C(=O)O)C

InChI

InChI=1S/C22H21NO4/c1-22(2)11-18(15-7-8-27-19(15)12-22)23-20(24)16-9-13-5-3-4-6-14(13)10-17(16)21(25)26/h3-10,18H,11-12H2,1-2H3,(H,23,24)(H,25,26)