(E)-6-(1H-indol-3-yl)-5-[methyl(phenylmethoxycarbonyl)amino]hex-2-enoic acid

Systemtic Name: (E)-6-(1H-indol-3-yl)-5-[methyl(phenylmethoxycarbonyl)amino]hex-2-enoic acid Openeye Name: (E)-5-[benzyloxycarbonyl(methyl)amino]-6-(1H-indol-3-yl)hex-2-enoic acid CAS Name: (E)-6-(1H-indol-3-yl)-5-[methyl(phenylmethoxycarbonyl)amino]-2-hexenoic acid IUPAC Name: (E)-6-(1H-indol-3-yl)-5-[methyl(phenylmethoxycarbonyl)amino]hex-2-enoic acid Traditional Name: (E)-5-[carbobenzoxy(methyl)amino]-6-(1H-indol-3-yl)hex-2-enoic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC=CC(=O)O)CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(C(C/C=C/C(=O)O)CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4/c1-25(23(28)29-16-17-8-3-2-4-9-17)19(10-7-13-22(26)27)14-18-15-24-21-12-6-5-11-20(18)21/h2-9,11-13,15,19,24H,10,14,16H2,1H3,(H,26,27)/b13-7+