4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylic acid Openeye Name: 6-benzyloxy-2-isobutyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylic acid CAS Name: 4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinecarboxylic acid IUPAC Name: 4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxyisoquinoline-3-carboxylic acid Traditional Name: 6-benzoxy-2-isobutyl-1-keto-4-(p-tolyl)isoquinoline-3-carboxylic acid Formula: C28H27NO4 MolecularWeight: 441.51828

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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)O

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)O

InChI

InChI=1S/C28H27NO4/c1-18(2)16-29-26(28(31)32)25(21-11-9-19(3)10-12-21)24-15-22(13-14-23(24)27(29)30)33-17-20-7-5-4-6-8-20/h4-15,18H,16-17H2,1-3H3,(H,31,32)