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

Systemtic Name: 2-[6,7-diethoxy-2-[(3-fluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[6,7-diethoxy-2-[(3-fluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[6,7-diethoxy-2-[(3-fluoroanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[6,7-diethoxy-2-[(3-fluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[6,7-diethoxy-2-[(3-fluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C22H25FN2O5 MolecularWeight: 416.442703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC(=CC=C3)F)CC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC(=CC=C3)F)CC(=O)O)OCC

InChI

InChI=1S/C22H25FN2O5/c1-3-29-19-10-14-8-9-25(22(28)24-16-7-5-6-15(23)11-16)18(13-21(26)27)17(14)12-20(19)30-4-2/h5-7,10-12,18H,3-4,8-9,13H2,1-2H3,(H,24,28)(H,26,27)