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

Systemtic Name: methyl 4-(3-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylate Openeye Name: methyl 6-benzyloxy-4-(3-fluorophenyl)-2-isobutyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-fluorophenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-fluorophenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxyisoquinoline-3-carboxylate Traditional Name: 6-benzoxy-4-(3-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=C4)F)C(=O)OC

Isomeric SMILES

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

InChI

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