6-chloranyl-1-oxidanylidene-4-phenyl-2-phenylmethoxy-isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-oxidanylidene-4-phenyl-2-phenylmethoxy-isoquinoline-3-carboxylic acid Openeye Name: 2-benzyloxy-6-chloro-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-1-oxo-4-phenyl-2-phenylmethoxy-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-1-oxo-4-phenyl-2-phenylmethoxyisoquinoline-3-carboxylic acid Traditional Name: 2-benzoxy-6-chloro-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C23H16ClNO4 MolecularWeight: 405.83044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CON2C(=C(C3=C(C2=O)C=CC(=C3)Cl)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CON2C(=C(C3=C(C2=O)C=CC(=C3)Cl)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H16ClNO4/c24-17-11-12-18-19(13-17)20(16-9-5-2-6-10-16)21(23(27)28)25(22(18)26)29-14-15-7-3-1-4-8-15/h1-13H,14H2,(H,27,28)