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

Systemtic Name: methyl 3-(5-methyl-1-propyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(5-methyl-1-propyl-indol-3-yl)butanoate CAS Name: 3-(5-methyl-1-propyl-3-indolyl)-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 3-(5-methyl-1-propylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(5-methyl-1-propyl-indol-3-yl)butyric acid methyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-5-13-27-15-21(20-14-17(2)11-12-22(20)27)18(3)23(24(28)30-4)26-25(29)31-16-19-9-7-6-8-10-19/h6-12,14-15,18,23H,5,13,16H2,1-4H3,(H,26,29)