[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H28N2O3/c1-15-7-2-4-10-18(15)23-20(24)14-26-21(25)12-6-8-16-13-22-19-11-5-3-9-17(16)19/h3,5,9,11,13,15,18,22H,2,4,6-8,10,12,14H2,1H3,(H,23,24)/t15-,18-/m0/s1