3-(1-ethyl-5-methyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 3-(1-ethyl-5-methyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(1-ethyl-5-methyl-indol-3-yl)butanoic acid CAS Name: 3-(1-ethyl-5-methyl-3-indolyl)-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 3-(1-ethyl-5-methylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(1-ethyl-5-methyl-indol-3-yl)butyric acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=CC(=C2)C)C(C)C(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C2=C1C=CC(=C2)C)C(C)C(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-4-25-13-19(18-12-15(2)10-11-20(18)25)16(3)21(22(26)27)24-23(28)29-14-17-8-6-5-7-9-17/h5-13,16,21H,4,14H2,1-3H3,(H,24,28)(H,26,27)