4-butoxy-6,7-bis(chloranyl)-2-(furan-2-ylmethyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 4-butoxy-6,7-bis(chloranyl)-2-(furan-2-ylmethyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 4-butoxy-6,7-dichloro-2-(2-furylmethyl)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-butoxy-6,7-dichloro-2-(2-furanylmethyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 4-butoxy-6,7-dichloro-2-(furan-2-ylmethyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 4-butoxy-6,7-dichloro-2-(2-furfuryl)-1-keto-isoquinoline-3-carboxylic acid Formula: C19H17Cl2NO5 MolecularWeight: 410.24798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC3=CC=CO3)C(=O)O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC3=CC=CO3)C(=O)O

InChI

InChI=1S/C19H17Cl2NO5/c1-2-3-6-27-17-12-8-14(20)15(21)9-13(12)18(23)22(16(17)19(24)25)10-11-5-4-7-26-11/h4-5,7-9H,2-3,6,10H2,1H3,(H,24,25)