methyl 3-(1-butyl-2-methyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C21)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C21)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3)C

InChI

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