(phenylmethyl) (E)-4-bromanyl-2-(1H-indol-3-ylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

Systemtic Name: (phenylmethyl) (E)-4-bromanyl-2-(1H-indol-3-ylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate Openeye Name: benzyl (E)-4-bromo-5-(tert-butoxycarbonylamino)-2-(1H-indol-3-ylmethyl)pent-2-enoate CAS Name: (E)-4-bromo-2-(1H-indol-3-ylmethyl)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pentenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-4-bromo-2-(1H-indol-3-ylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate Traditional Name: (E)-4-bromo-5-(tert-butoxycarbonylamino)-2-(1H-indol-3-ylmethyl)pent-2-enoic acid benzyl ester Formula: C26H29BrN2O4 MolecularWeight: 513.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(C=C(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCC(/C=C(\CC1=CNC2=CC=CC=C21)/C(=O)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H29BrN2O4/c1-26(2,3)33-25(31)29-16-21(27)14-19(24(30)32-17-18-9-5-4-6-10-18)13-20-15-28-23-12-8-7-11-22(20)23/h4-12,14-15,21,28H,13,16-17H2,1-3H3,(H,29,31)/b19-14+