tert-butyl 2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-6-phenylmethoxy-isoquinoline-3-carboxylate

Systemtic Name: tert-butyl 2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-6-phenylmethoxy-isoquinoline-3-carboxylate Openeye Name: tert-butyl 6-benzyloxy-2-isobutyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-(2-methylpropyl)-1-oxo-4-phenyl-6-phenylmethoxy-3-isoquinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-methylpropyl)-1-oxo-4-phenyl-6-phenylmethoxyisoquinoline-3-carboxylate Traditional Name: 6-benzoxy-2-isobutyl-1-keto-4-phenyl-isoquinoline-3-carboxylic acid tert-butyl ester Formula: C31H33NO4 MolecularWeight: 483.59802

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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)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H33NO4/c1-21(2)19-32-28(30(34)36-31(3,4)5)27(23-14-10-7-11-15-23)26-18-24(16-17-25(26)29(32)33)35-20-22-12-8-6-9-13-22/h6-18,21H,19-20H2,1-5H3