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

Systemtic Name: 2-[6,7-diethoxy-2-[(4-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[6,7-diethoxy-2-[(4-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[6,7-diethoxy-2-[[(4-fluorophenyl)methylamino]-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[6,7-diethoxy-2-[(4-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[6,7-diethoxy-2-[(4-fluorobenzyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C23H27FN2O5 MolecularWeight: 430.469283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NCC3=CC=C(C=C3)F)CC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NCC3=CC=C(C=C3)F)CC(=O)O)OCC

InChI

InChI=1S/C23H27FN2O5/c1-3-30-20-11-16-9-10-26(23(29)25-14-15-5-7-17(24)8-6-15)19(13-22(27)28)18(16)12-21(20)31-4-2/h5-8,11-12,19H,3-4,9-10,13-14H2,1-2H3,(H,25,29)(H,27,28)