3-(1,5-dimethylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 3-(1,5-dimethylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(1,5-dimethylindol-3-yl)butanoic acid CAS Name: 3-(1,5-dimethyl-3-indolyl)-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 3-(1,5-dimethylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(1,5-dimethylindol-3-yl)butyric acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2C(C)C(C(=O)O)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2C(C)C(C(=O)O)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2O4/c1-14-9-10-19-17(11-14)18(12-24(19)3)15(2)20(21(25)26)23-22(27)28-13-16-7-5-4-6-8-16/h4-12,15,20H,13H2,1-3H3,(H,23,27)(H,25,26)