3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamoyl]naphthalene-2-carboxylic acid

Systemtic Name: 3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamoyl]naphthalene-2-carboxylic acid Openeye Name: 3-[(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)carbamoyl]naphthalene-2-carboxylic acid CAS Name: 3-[[(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)amino]-oxomethyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamoyl]naphthalene-2-carboxylic acid Traditional Name: 3-[(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)carbamoyl]-2-naphthoic acid Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C1C(CCC2)NC(=O)C3=CC4=CC=CC=C4C=C3C(=O)O

Isomeric SMILES

CC1=COC2=C1C(CCC2)NC(=O)C3=CC4=CC=CC=C4C=C3C(=O)O

InChI

InChI=1S/C21H19NO4/c1-12-11-26-18-8-4-7-17(19(12)18)22-20(23)15-9-13-5-2-3-6-14(13)10-16(15)21(24)25/h2-3,5-6,9-11,17H,4,7-8H2,1H3,(H,22,23)(H,24,25)