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

Systemtic Name: 3-[[4-[[(4-butoxyphenyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-butoxyanilino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-butoxyanilino)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-butoxyanilino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-butoxyanilino)methyl]benzoyl]amino]propionic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NCC2=CC=C(C=C2)C(=O)NCCC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NCC2=CC=C(C=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C21H26N2O4/c1-2-3-14-27-19-10-8-18(9-11-19)23-15-16-4-6-17(7-5-16)21(26)22-13-12-20(24)25/h4-11,23H,2-3,12-15H2,1H3,(H,22,26)(H,24,25)