ethyl 4-[[4-[3-methyl-2-(octanoylamino)butanoyl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[3-methyl-2-(octanoylamino)butanoyl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[3-methyl-2-(octanoylamino)butanoyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[3-methyl-1-oxo-2-(1-oxooctylamino)butyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[3-methyl-2-(octanoylamino)butanoyl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[2-(caprylylamino)-3-methyl-butanoyl]piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C27H42N4O5 MolecularWeight: 502.64618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C(C)C)C(=O)N1CCN(CC1)C(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)NC(C(C)C)C(=O)N1CCN(CC1)C(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C27H42N4O5/c1-5-7-8-9-10-11-23(32)29-24(20(3)4)25(33)30-16-18-31(19-17-30)27(35)28-22-14-12-21(13-15-22)26(34)36-6-2/h12-15,20,24H,5-11,16-19H2,1-4H3,(H,28,35)(H,29,32)