ethyl 7-chloranyl-1-(2-oxidanylidene-1-phenyl-butyl)isoquinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-1-(2-oxidanylidene-1-phenyl-butyl)isoquinoline-3-carboxylate Openeye Name: ethyl 7-chloro-1-(2-oxo-1-phenyl-butyl)isoquinoline-3-carboxylate CAS Name: 7-chloro-1-(2-oxo-1-phenylbutyl)-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-1-(2-oxo-1-phenylbutyl)isoquinoline-3-carboxylate Traditional Name: 7-chloro-1-(2-keto-1-phenyl-butyl)isoquinoline-3-carboxylic acid ethyl ester Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=CC=CC=C1)C2=C3C=C(C=CC3=CC(=N2)C(=O)OCC)Cl

Isomeric SMILES

CCC(=O)C(C1=CC=CC=C1)C2=C3C=C(C=CC3=CC(=N2)C(=O)OCC)Cl

InChI

InChI=1S/C22H20ClNO3/c1-3-19(25)20(14-8-6-5-7-9-14)21-17-13-16(23)11-10-15(17)12-18(24-21)22(26)27-4-2/h5-13,20H,3-4H2,1-2H3