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

Systemtic Name: 2-[2-[(3-fluoranyl-4-methyl-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(3-fluoro-4-methyl-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(3-fluoro-4-methylanilino)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(3-fluoro-4-methylphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(3-fluoro-4-methyl-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCC3=CC(=C(C=C3C2CC(=O)O)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCC3=CC(=C(C=C3C2CC(=O)O)OC)OC)F

InChI

InChI=1S/C21H23FN2O5/c1-12-4-5-14(9-16(12)22)23-21(27)24-7-6-13-8-18(28-2)19(29-3)10-15(13)17(24)11-20(25)26/h4-5,8-10,17H,6-7,11H2,1-3H3,(H,23,27)(H,25,26)