ethyl 3-[[4-[[azanyl-(4-cyclohexylphenyl)amino]methyl]phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[4-[[azanyl-(4-cyclohexylphenyl)amino]methyl]phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-[[4-[(N-amino-4-cyclohexyl-anilino)methyl]benzoyl]amino]propanoate CAS Name: 3-[[[4-[(N-amino-4-cyclohexylanilino)methyl]phenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(N-amino-4-cyclohexylanilino)methyl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[(N-amino-4-cyclohexyl-anilino)methyl]benzoyl]amino]propionic acid ethyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C3CCCCC3)N

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C3CCCCC3)N

InChI

InChI=1S/C25H33N3O3/c1-2-31-24(29)16-17-27-25(30)22-10-8-19(9-11-22)18-28(26)23-14-12-21(13-15-23)20-6-4-3-5-7-20/h8-15,20H,2-7,16-18,26H2,1H3,(H,27,30)