2-[1-[[1-(3-phenylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[[1-(3-phenylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[[1-(3-phenylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid CAS Name: 2-[1-[[[oxo-[1-(1-oxo-3-phenylpropoxy)ethoxy]methyl]amino]methyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[[1-(3-phenylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[(1-hydrocinnamoyloxyethoxycarbonylamino)methyl]cyclohexyl]acetic acid Formula: C21H29NO6 MolecularWeight: 391.45806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)CCC1=CC=CC=C1)OC(=O)NCC2(CCCCC2)CC(=O)O

Isomeric SMILES

CC(OC(=O)CCC1=CC=CC=C1)OC(=O)NCC2(CCCCC2)CC(=O)O

InChI

InChI=1S/C21H29NO6/c1-16(27-19(25)11-10-17-8-4-2-5-9-17)28-20(26)22-15-21(14-18(23)24)12-6-3-7-13-21/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3,(H,22,26)(H,23,24)