ethyl 4-butoxy-6,7-bis(chloranyl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-3-carboxylate

Systemtic Name: ethyl 4-butoxy-6,7-bis(chloranyl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-3-carboxylate Openeye Name: ethyl 2-benzyl-4-butoxy-6,7-dichloro-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-butoxy-6,7-dichloro-1-oxo-2-(phenylmethyl)-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-4-butoxy-6,7-dichloro-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-benzyl-4-butoxy-6,7-dichloro-1-keto-isoquinoline-3-carboxylic acid ethyl ester Formula: C23H23Cl2NO4 MolecularWeight: 448.33902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H23Cl2NO4/c1-3-5-11-30-21-16-12-18(24)19(25)13-17(16)22(27)26(20(21)23(28)29-4-2)14-15-9-7-6-8-10-15/h6-10,12-13H,3-5,11,14H2,1-2H3