[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxy-phenyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxy-phenyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxy-phenyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [4-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [4-[[4-(2-fluorophenyl)piperazino]methyl]-2-methoxy-phenyl] ester Formula: C28H30FN3O3 MolecularWeight: 475.554503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=C3F)OC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=C3F)OC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H30FN3O3/c1-34-27-18-21(19-30-14-16-31(17-15-30)25-9-5-4-8-24(25)29)10-11-26(27)35-28(33)32-13-12-22-6-2-3-7-23(22)20-32/h2-11,18H,12-17,19-20H2,1H3