2-[1-[[1-(2-oxidanylidene-3-phenyl-propanoyl)oxyethoxycarbonylamino]methyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[[1-(2-oxidanylidene-3-phenyl-propanoyl)oxyethoxycarbonylamino]methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[[1-(2-oxo-3-phenyl-propanoyl)oxyethoxycarbonylamino]methyl]cyclohexyl]acetic acid CAS Name: 2-[1-[[[1-(1,2-dioxo-3-phenylpropoxy)ethoxy-oxomethyl]amino]methyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[[1-(2-oxo-3-phenylpropanoyl)oxyethoxycarbonylamino]methyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[[1-(2-keto-3-phenyl-propanoyl)oxyethoxycarbonylamino]methyl]cyclohexyl]acetic acid Formula: C21H27NO7 MolecularWeight: 405.44158

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C(=O)CC1=CC=CC=C1)OC(=O)NCC2(CCCCC2)CC(=O)O

Isomeric SMILES

CC(OC(=O)C(=O)CC1=CC=CC=C1)OC(=O)NCC2(CCCCC2)CC(=O)O

InChI

InChI=1S/C21H27NO7/c1-15(28-19(26)17(23)12-16-8-4-2-5-9-16)29-20(27)22-14-21(13-18(24)25)10-6-3-7-11-21/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3,(H,22,27)(H,24,25)