1-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(2,3-dimethyl-2,3-dihydrobenzofuran-7-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(2,3-dimethyl-2,3-dihydrobenzofuran-7-yl)-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(2,3-dimethylcoumaran-7-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=CC=C12)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O)C

Isomeric SMILES

CC1C(OC2=C(C=CC=C12)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O)C

InChI

InChI=1S/C21H21NO4/c1-12-13(2)26-19-14(12)6-3-8-17(19)20(23)22-11-5-9-15-16(21(24)25)7-4-10-18(15)22/h3-4,6-8,10,12-13H,5,9,11H2,1-2H3,(H,24,25)