butyl 6-butoxy-1-chloranyl-4-oxidanyl-isoquinoline-3-carboxylate

Systemtic Name: butyl 6-butoxy-1-chloranyl-4-oxidanyl-isoquinoline-3-carboxylate Openeye Name: butyl 6-butoxy-1-chloro-4-hydroxy-isoquinoline-3-carboxylate CAS Name: 6-butoxy-1-chloro-4-hydroxy-3-isoquinolinecarboxylic acid butyl ester IUPAC Name: butyl 6-butoxy-1-chloro-4-hydroxyisoquinoline-3-carboxylate Traditional Name: 6-butoxy-1-chloro-4-hydroxy-isoquinoline-3-carboxylic acid butyl ester Formula: C18H22ClNO4 MolecularWeight: 351.82458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)OCCCC)Cl

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)OCCCC)Cl

InChI

InChI=1S/C18H22ClNO4/c1-3-5-9-23-12-7-8-13-14(11-12)16(21)15(20-17(13)19)18(22)24-10-6-4-2/h7-8,11,21H,3-6,9-10H2,1-2H3