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

Systemtic Name: (3S,4R)-2-(3-bromanylpropyl)-6,7-dimethoxy-3-naphthalen-2-yl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-(3-bromopropyl)-6,7-dimethoxy-3-(2-naphthyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-(3-bromopropyl)-6,7-dimethoxy-3-(2-naphthalenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-(3-bromopropyl)-6,7-dimethoxy-3-naphthalen-2-yl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-(3-bromopropyl)-1-keto-6,7-dimethoxy-3-(2-naphthyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C25H24BrNO5 MolecularWeight: 498.36576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C(N(C2=O)CCCBr)C3=CC4=CC=CC=C4C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)[C@H]([C@H](N(C2=O)CCCBr)C3=CC4=CC=CC=C4C=C3)C(=O)O)OC

InChI

InChI=1S/C25H24BrNO5/c1-31-20-13-18-19(14-21(20)32-2)24(28)27(11-5-10-26)23(22(18)25(29)30)17-9-8-15-6-3-4-7-16(15)12-17/h3-4,6-9,12-14,22-23H,5,10-11H2,1-2H3,(H,29,30)/t22-,23-/m1/s1