3-[[4-[[(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butylcyclohexyl)amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propionic acid Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NCC2=CC=C(C=C2)C(=O)NCCC(=O)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NCC2=CC=C(C=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C21H32N2O3/c1-21(2,3)17-8-10-18(11-9-17)23-14-15-4-6-16(7-5-15)20(26)22-13-12-19(24)25/h4-7,17-18,23H,8-14H2,1-3H3,(H,22,26)(H,24,25)