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

Systemtic Name: methyl 4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylate Openeye Name: methyl 6-benzyloxy-2-isobutyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxyisoquinoline-3-carboxylate Traditional Name: 6-benzoxy-2-isobutyl-1-keto-4-(p-tolyl)isoquinoline-3-carboxylic acid methyl ester Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)OCC4=CC=CC=C4)CC(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)OCC4=CC=CC=C4)CC(C)C)C(=O)OC

InChI

InChI=1S/C29H29NO4/c1-19(2)17-30-27(29(32)33-4)26(22-12-10-20(3)11-13-22)25-16-23(14-15-24(25)28(30)31)34-18-21-8-6-5-7-9-21/h5-16,19H,17-18H2,1-4H3