3-(2-methyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(2-methyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(2-methyl-1H-indol-3-yl)propanoic acid CAS Name: 3-(2-methyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(2-methyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(2-methyl-1H-indol-3-yl)propionic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4/c1-13-16(15-9-5-6-10-17(15)21-13)11-18(19(23)24)22-20(25)26-12-14-7-3-2-4-8-14/h2-10,18,21H,11-12H2,1H3,(H,22,25)(H,23,24)