methyl 6,7-bis(chloranyl)-4-methoxy-1-oxidanylidene-2-pentyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 6,7-bis(chloranyl)-4-methoxy-1-oxidanylidene-2-pentyl-isoquinoline-3-carboxylate Openeye Name: methyl 6,7-dichloro-4-methoxy-1-oxo-2-pentyl-isoquinoline-3-carboxylate CAS Name: 6,7-dichloro-4-methoxy-1-oxo-2-pentyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6,7-dichloro-4-methoxy-1-oxo-2-pentylisoquinoline-3-carboxylate Traditional Name: 2-amyl-6,7-dichloro-1-keto-4-methoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C17H19Cl2NO4 MolecularWeight: 372.24306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=CC(=C(C=C2C1=O)Cl)Cl)OC)C(=O)OC

Isomeric SMILES

CCCCCN1C(=C(C2=CC(=C(C=C2C1=O)Cl)Cl)OC)C(=O)OC

InChI

InChI=1S/C17H19Cl2NO4/c1-4-5-6-7-20-14(17(22)24-3)15(23-2)10-8-12(18)13(19)9-11(10)16(20)21/h8-9H,4-7H2,1-3H3