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

Systemtic Name: 3-[[4-[[(4-butylphenyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-butylanilino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-butylanilino)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-butylanilino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-butylanilino)methyl]benzoyl]amino]propionic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NCC2=CC=C(C=C2)C(=O)NCCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NCC2=CC=C(C=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C21H26N2O3/c1-2-3-4-16-7-11-19(12-8-16)23-15-17-5-9-18(10-6-17)21(26)22-14-13-20(24)25/h5-12,23H,2-4,13-15H2,1H3,(H,22,26)(H,24,25)