4-[[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]amino]-3-phenyl-butanoic acid

Systemtic Name: 4-[[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]amino]-3-phenyl-butanoic acid Openeye Name: 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-3-phenyl-butanoic acid CAS Name: 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-3-phenylbutanoic acid IUPAC Name: 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-3-phenylbutanoic acid Traditional Name: 4-[(2-keto-2-mesidino-ethyl)amino]-3-phenyl-butyric acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNCC(CC(=O)O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNCC(CC(=O)O)C2=CC=CC=C2)C

InChI

InChI=1S/C21H26N2O3/c1-14-9-15(2)21(16(3)10-14)23-19(24)13-22-12-18(11-20(25)26)17-7-5-4-6-8-17/h4-10,18,22H,11-13H2,1-3H3,(H,23,24)(H,25,26)