ethyl 4-butoxy-6-chloranyl-1-oxidanylidene-2-propyl-isoquinoline-3-carboxylate

Systemtic Name: ethyl 4-butoxy-6-chloranyl-1-oxidanylidene-2-propyl-isoquinoline-3-carboxylate Openeye Name: ethyl 4-butoxy-6-chloro-1-oxo-2-propyl-isoquinoline-3-carboxylate CAS Name: 4-butoxy-6-chloro-1-oxo-2-propyl-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-butoxy-6-chloro-1-oxo-2-propylisoquinoline-3-carboxylate Traditional Name: 4-butoxy-6-chloro-1-keto-2-propyl-isoquinoline-3-carboxylic acid ethyl ester Formula: C19H24ClNO4 MolecularWeight: 365.85116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)CCC)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)CCC)C(=O)OCC

InChI

InChI=1S/C19H24ClNO4/c1-4-7-11-25-17-15-12-13(20)8-9-14(15)18(22)21(10-5-2)16(17)19(23)24-6-3/h8-9,12H,4-7,10-11H2,1-3H3