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

Systemtic Name: methyl 2-[6,7-diethoxy-2-[(3-fluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[6,7-diethoxy-2-[(3-fluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[6,7-diethoxy-2-[(3-fluoroanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-diethoxy-2-[(3-fluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[6,7-diethoxy-2-[(3-fluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C23H27FN2O5 MolecularWeight: 430.469283

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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)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O5/c1-4-30-20-11-15-9-10-26(23(28)25-17-8-6-7-16(24)12-17)19(14-22(27)29-3)18(15)13-21(20)31-5-2/h6-8,11-13,19H,4-5,9-10,14H2,1-3H3,(H,25,28)