6-chloranyl-2-(methylamino)-1-oxidanylidene-4-phenyl-5-phenylmethoxycarbonyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-(methylamino)-1-oxidanylidene-4-phenyl-5-phenylmethoxycarbonyl-isoquinoline-3-carboxylic acid Openeye Name: 5-benzyloxycarbonyl-6-chloro-2-(methylamino)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-2-(methylamino)-1-oxo-4-phenyl-5-phenylmethoxycarbonyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-2-(methylamino)-1-oxo-4-phenyl-5-phenylmethoxycarbonylisoquinoline-3-carboxylic acid Traditional Name: 5-carbobenzoxy-6-chloro-1-keto-2-(methylamino)-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H19ClN2O5 MolecularWeight: 462.88176

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Descriptors Computed from Structure

Canonical SMILES:

CNN1C(=C(C2=C(C1=O)C=CC(=C2C(=O)OCC3=CC=CC=C3)Cl)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CNN1C(=C(C2=C(C1=O)C=CC(=C2C(=O)OCC3=CC=CC=C3)Cl)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H19ClN2O5/c1-27-28-22(24(30)31)19(16-10-6-3-7-11-16)20-17(23(28)29)12-13-18(26)21(20)25(32)33-14-15-8-4-2-5-9-15/h2-13,27H,14H2,1H3,(H,30,31)