2-[1-[[4-(phenylcarbonyloxy)butoxycarbonylamino]methyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[[4-(phenylcarbonyloxy)butoxycarbonylamino]methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[(4-benzoyloxybutoxycarbonylamino)methyl]cyclohexyl]acetic acid CAS Name: 2-[1-[[[4-benzoyloxybutoxy(oxo)methyl]amino]methyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[(4-benzoyloxybutoxycarbonylamino)methyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[(4-benzoyloxybutoxycarbonylamino)methyl]cyclohexyl]acetic acid Formula: C21H29NO6 MolecularWeight: 391.45806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)O)CNC(=O)OCCCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)(CC(=O)O)CNC(=O)OCCCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H29NO6/c23-18(24)15-21(11-5-2-6-12-21)16-22-20(26)28-14-8-7-13-27-19(25)17-9-3-1-4-10-17/h1,3-4,9-10H,2,5-8,11-16H2,(H,22,26)(H,23,24)