3-(1-methylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 3-(1-methylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(1-methylindol-3-yl)butanoic acid CAS Name: 3-(1-methyl-3-indolyl)-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 3-(1-methylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(1-methylindol-3-yl)butyric acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C2=CC=CC=C21)C)C(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CN(C2=CC=CC=C21)C)C(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-14(17-12-23(2)18-11-7-6-10-16(17)18)19(20(24)25)22-21(26)27-13-15-8-4-3-5-9-15/h3-12,14,19H,13H2,1-2H3,(H,22,26)(H,24,25)