6-bromanyl-4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-4-butoxy-2-(cyclopropylmethyl)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-4-butoxy-2-(cyclopropylmethyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-4-butoxy-2-(cyclopropylmethyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-4-butoxy-2-(cyclopropylmethyl)-1-keto-isoquinoline-3-carboxylic acid Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Br)CC3CC3)C(=O)O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Br)CC3CC3)C(=O)O

InChI

InChI=1S/C18H20BrNO4/c1-2-3-8-24-16-14-9-12(19)6-7-13(14)17(21)20(10-11-4-5-11)15(16)18(22)23/h6-7,9,11H,2-5,8,10H2,1H3,(H,22,23)