methyl 4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylate Openeye Name: methyl 6-benzyloxy-4-(2-fluorophenyl)-2-isobutyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxyisoquinoline-3-carboxylate Traditional Name: 6-benzoxy-4-(2-fluorophenyl)-2-isobutyl-1-keto-isoquinoline-3-carboxylic acid methyl ester Formula: C28H26FNO4 MolecularWeight: 459.508743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4F)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4F)C(=O)OC

InChI

InChI=1S/C28H26FNO4/c1-18(2)16-30-26(28(32)33-3)25(22-11-7-8-12-24(22)29)23-15-20(13-14-21(23)27(30)31)34-17-19-9-5-4-6-10-19/h4-15,18H,16-17H2,1-3H3