(3S,4R)-2-(3-chloranylpropyl)-6,7-dimethoxy-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-2-(3-chloranylpropyl)-6,7-dimethoxy-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-(3-chloropropyl)-6,7-dimethoxy-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-(3-chloropropyl)-6,7-dimethoxy-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-(3-chloropropyl)-6,7-dimethoxy-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-(3-chloropropyl)-1-keto-6,7-dimethoxy-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C(N(C2=O)CCCCl)C3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)[C@H]([C@H](N(C2=O)CCCCl)C3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C21H22ClNO5/c1-27-16-11-14-15(12-17(16)28-2)20(24)23(10-6-9-22)19(18(14)21(25)26)13-7-4-3-5-8-13/h3-5,7-8,11-12,18-19H,6,9-10H2,1-2H3,(H,25,26)/t18-,19-/m1/s1