methyl (3R)-2-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H21FN2O3 MolecularWeight: 356.390743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CC3=CC=CC=C3C[C@@H]2C(=O)OC)F

InChI

InChI=1S/C20H21FN2O3/c1-13-7-8-17(16(21)9-13)22-19(24)12-23-11-15-6-4-3-5-14(15)10-18(23)20(25)26-2/h3-9,18H,10-12H2,1-2H3,(H,22,24)/t18-/m1/s1