methyl 3-[1-(2-methylpropyl)indol-3-yl]-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl 3-[1-(2-methylpropyl)indol-3-yl]-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(1-isobutylindol-3-yl)butanoate CAS Name: 3-[1-(2-methylpropyl)-3-indolyl]-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 3-[1-(2-methylpropyl)indol-3-yl]-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1-isobutylindol-3-yl)butyric acid methyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC=CC=C21)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C=C(C2=CC=CC=C21)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O4/c1-17(2)14-27-15-21(20-12-8-9-13-22(20)27)18(3)23(24(28)30-4)26-25(29)31-16-19-10-6-5-7-11-19/h5-13,15,17-18,23H,14,16H2,1-4H3,(H,26,29)