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

Systemtic Name: methyl 3-(1-butyl-5-chloranyl-2-methyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(1-butyl-5-chloro-2-methyl-indol-3-yl)butanoate CAS Name: 3-(1-butyl-5-chloro-2-methyl-3-indolyl)-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 3-(1-butyl-5-chloro-2-methylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1-butyl-5-chloro-2-methyl-indol-3-yl)butyric acid methyl ester Formula: C26H31ClN2O4 MolecularWeight: 470.98834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2)Cl)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2)Cl)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C26H31ClN2O4/c1-5-6-14-29-18(3)23(21-15-20(27)12-13-22(21)29)17(2)24(25(30)32-4)28-26(31)33-16-19-10-8-7-9-11-19/h7-13,15,17,24H,5-6,14,16H2,1-4H3,(H,28,31)