2-[2-[(3-fluorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(3-fluorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(3-fluorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(3-fluoroanilino)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(3-fluorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(3-fluorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C20H21FN2O5 MolecularWeight: 388.389543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC(=CC=C3)F)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC(=CC=C3)F)CC(=O)O)OC

InChI

InChI=1S/C20H21FN2O5/c1-27-17-8-12-6-7-23(20(26)22-14-5-3-4-13(21)9-14)16(11-19(24)25)15(12)10-18(17)28-2/h3-5,8-10,16H,6-7,11H2,1-2H3,(H,22,26)(H,24,25)