ethyl (3R,4R)-3-(4-bromanyl-1-methyl-benzimidazol-2-yl)-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: ethyl (3R,4R)-3-(4-bromanyl-1-methyl-benzimidazol-2-yl)-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: ethyl (3R,4R)-3-(4-bromo-1-methyl-benzimidazol-2-yl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3R,4R)-3-(4-bromo-1-methyl-2-benzimidazolyl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-3-(4-bromo-1-methylbenzimidazol-2-yl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3R,4R)-3-(4-bromo-1-methyl-benzimidazol-2-yl)-1-keto-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid ethyl ester Formula: C23H24BrN3O3 MolecularWeight: 470.35896

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)OCC)C3=NC4=C(N3C)C=CC=C4Br

Isomeric SMILES

CCCN1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)OCC)C3=NC4=C(N3C)C=CC=C4Br

InChI

InChI=1S/C23H24BrN3O3/c1-4-13-27-20(21-25-19-16(24)11-8-12-17(19)26(21)3)18(23(29)30-5-2)14-9-6-7-10-15(14)22(27)28/h6-12,18,20H,4-5,13H2,1-3H3/t18-,20-/m1/s1