ethyl 2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-7-phenylmethoxy-isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-7-phenylmethoxy-isoquinoline-3-carboxylate Openeye Name: ethyl 7-benzyloxy-2-isobutyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-(2-methylpropyl)-1-oxo-4-phenyl-7-phenylmethoxy-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylpropyl)-1-oxo-4-phenyl-7-phenylmethoxyisoquinoline-3-carboxylate Traditional Name: 7-benzoxy-2-isobutyl-1-keto-4-phenyl-isoquinoline-3-carboxylic acid ethyl ester Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=O)N1CC(C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=O)N1CC(C)C)C4=CC=CC=C4

InChI

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