methyl (E)-5-[2-bromanylethanoyl-(phenylmethyl)amino]-5-(1H-indol-3-yl)pent-2-enoate

Systemtic Name: methyl (E)-5-[2-bromanylethanoyl-(phenylmethyl)amino]-5-(1H-indol-3-yl)pent-2-enoate Openeye Name: methyl (E)-5-[benzyl-(2-bromoacetyl)amino]-5-(1H-indol-3-yl)pent-2-enoate CAS Name: (E)-5-[(2-bromo-1-oxoethyl)-(phenylmethyl)amino]-5-(1H-indol-3-yl)-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-[benzyl-(2-bromoacetyl)amino]-5-(1H-indol-3-yl)pent-2-enoate Traditional Name: (E)-5-[benzyl-(2-bromoacetyl)amino]-5-(1H-indol-3-yl)pent-2-enoic acid methyl ester Formula: C23H23BrN2O3 MolecularWeight: 455.34432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC(C1=CNC2=CC=CC=C21)N(CC3=CC=CC=C3)C(=O)CBr

Isomeric SMILES

COC(=O)/C=C/CC(C1=CNC2=CC=CC=C21)N(CC3=CC=CC=C3)C(=O)CBr

InChI

InChI=1S/C23H23BrN2O3/c1-29-23(28)13-7-12-21(19-15-25-20-11-6-5-10-18(19)20)26(22(27)14-24)16-17-8-3-2-4-9-17/h2-11,13,15,21,25H,12,14,16H2,1H3/b13-7+