1-oxidanylidene-4-phenyl-6-phenylmethoxy-2-(phenylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-oxidanylidene-4-phenyl-6-phenylmethoxy-2-(phenylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 2-benzyl-6-benzyloxy-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 1-oxo-4-phenyl-6-phenylmethoxy-2-(phenylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-benzyl-1-oxo-4-phenyl-6-phenylmethoxyisoquinoline-3-carboxylic acid Traditional Name: 6-benzoxy-2-benzyl-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C30H23NO4 MolecularWeight: 461.50792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H23NO4/c32-29-25-17-16-24(35-20-22-12-6-2-7-13-22)18-26(25)27(23-14-8-3-9-15-23)28(30(33)34)31(29)19-21-10-4-1-5-11-21/h1-18H,19-20H2,(H,33,34)