ethyl 6-chloranyl-4-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: ethyl 6-chloro-4-(4-methoxyphenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 6-chloro-4-(4-methoxyphenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-(4-methoxyphenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 6-chloro-1-keto-4-(4-methoxyphenyl)-2-methyl-isoquinoline-3-carboxylic acid ethyl ester Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18ClNO4/c1-4-26-20(24)18-17(12-5-8-14(25-3)9-6-12)16-11-13(21)7-10-15(16)19(23)22(18)2/h5-11H,4H2,1-3H3