2-(3-fluoranyl-4-methyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(3-fluoranyl-4-methyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-fluoro-4-methyl-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(3-fluoro-4-methylphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(3-fluoro-4-methyl-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H16FNO3 MolecularWeight: 313.322943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O)F

InChI

InChI=1S/C18H16FNO3/c1-11-6-7-13(8-15(11)19)17(21)20-10-14-5-3-2-4-12(14)9-16(20)18(22)23/h2-8,16H,9-10H2,1H3,(H,22,23)