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

Systemtic Name: (3S,4R)-3-(4-bromanyl-1-methyl-benzimidazol-2-yl)-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3S,4R)-3-(4-bromo-1-methyl-benzimidazol-2-yl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4R)-3-(4-bromo-1-methyl-2-benzimidazolyl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3S,4R)-3-(4-bromo-1-methylbenzimidazol-2-yl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4R)-3-(4-bromo-1-methyl-benzimidazol-2-yl)-1-keto-2-propyl-3,4-dihydroisoquinoline-4-carboxylate Formula: C21H19BrN3O3- MolecularWeight: 441.29786

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)[O-])C3=NC4=C(N3C)C=CC=C4Br

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3/c1-3-11-25-18(19-23-17-14(22)9-6-10-15(17)24(19)2)16(21(27)28)12-7-4-5-8-13(12)20(25)26/h4-10,16,18H,3,11H2,1-2H3,(H,27,28)/p-1/t16-,18+/m1/s1