4-(1H-indol-3-yl)-3-[methyl(phenylmethoxycarbonyl)amino]butanoic acid

Systemtic Name: 4-(1H-indol-3-yl)-3-[methyl(phenylmethoxycarbonyl)amino]butanoic acid Openeye Name: 3-[benzyloxycarbonyl(methyl)amino]-4-(1H-indol-3-yl)butanoic acid CAS Name: 4-(1H-indol-3-yl)-3-[methyl(phenylmethoxycarbonyl)amino]butanoic acid IUPAC Name: 4-(1H-indol-3-yl)-3-[methyl(phenylmethoxycarbonyl)amino]butanoic acid Traditional Name: 3-[carbobenzoxy(methyl)amino]-4-(1H-indol-3-yl)butyric acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-23(21(26)27-14-15-7-3-2-4-8-15)17(12-20(24)25)11-16-13-22-19-10-6-5-9-18(16)19/h2-10,13,17,22H,11-12,14H2,1H3,(H,24,25)