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

Systemtic Name: (3S,4R)-2-(3-bromanylpropyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-(3-bromopropyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-(3-bromopropyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-(3-bromopropyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-(3-bromopropyl)-3-(3,4-dimethoxyphenyl)-1-keto-6,7-dimethoxy-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H26BrNO7 MolecularWeight: 508.35904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C3=CC(=C(C=C3C(=O)N2CCCBr)OC)OC)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2[C@@H](C3=CC(=C(C=C3C(=O)N2CCCBr)OC)OC)C(=O)O)OC

InChI

InChI=1S/C23H26BrNO7/c1-29-16-7-6-13(10-17(16)30-2)21-20(23(27)28)14-11-18(31-3)19(32-4)12-15(14)22(26)25(21)9-5-8-24/h6-7,10-12,20-21H,5,8-9H2,1-4H3,(H,27,28)/t20-,21-/m1/s1