[2-[[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[[(S)-(1-methyl-2-imidazolyl)-phenylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(S)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-[[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]ethyl] ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=CC=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C20H18BrN3O4/c1-24-10-9-22-19(24)18(13-5-3-2-4-6-13)23-17(26)12-28-20(27)15-11-14(21)7-8-16(15)25/h2-11,18,25H,12H2,1H3,(H,23,26)/t18-/m0/s1