3-[[4-[[azanyl-(4-cyclohexylphenyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[azanyl-(4-cyclohexylphenyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(N-amino-4-cyclohexyl-anilino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(N-amino-4-cyclohexylanilino)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(N-amino-4-cyclohexylanilino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(N-amino-4-cyclohexyl-anilino)methyl]benzoyl]amino]propionic acid Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)N

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)N

InChI

InChI=1S/C23H29N3O3/c24-26(21-12-10-19(11-13-21)18-4-2-1-3-5-18)16-17-6-8-20(9-7-17)23(29)25-15-14-22(27)28/h6-13,18H,1-5,14-16,24H2,(H,25,29)(H,27,28)