methyl 3-(2,5-dimethyl-1-propyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl 3-(2,5-dimethyl-1-propyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(2,5-dimethyl-1-propyl-indol-3-yl)butanoate CAS Name: 3-(2,5-dimethyl-1-propyl-3-indolyl)-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 3-(2,5-dimethyl-1-propylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(2,5-dimethyl-1-propyl-indol-3-yl)butyric acid methyl ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=C1C=CC(=C2)C)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=C(C2=C1C=CC(=C2)C)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C26H32N2O4/c1-6-14-28-19(4)23(21-15-17(2)12-13-22(21)28)18(3)24(25(29)31-5)27-26(30)32-16-20-10-8-7-9-11-20/h7-13,15,18,24H,6,14,16H2,1-5H3,(H,27,30)