4-oxidanylidene-2-(pentylamino)-4-[(2,4,6-trimethylphenyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-2-(pentylamino)-4-[(2,4,6-trimethylphenyl)amino]butanoic acid Openeye Name: 4-oxo-2-(pentylamino)-4-(2,4,6-trimethylanilino)butanoic acid CAS Name: 4-oxo-2-(pentylamino)-4-(2,4,6-trimethylanilino)butanoic acid IUPAC Name: 4-oxo-2-(pentylamino)-4-(2,4,6-trimethylanilino)butanoic acid Traditional Name: 2-(amylamino)-4-keto-4-mesidino-butyric acid Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(CC(=O)NC1=C(C=C(C=C1C)C)C)C(=O)O

Isomeric SMILES

CCCCCNC(CC(=O)NC1=C(C=C(C=C1C)C)C)C(=O)O

InChI

InChI=1S/C18H28N2O3/c1-5-6-7-8-19-15(18(22)23)11-16(21)20-17-13(3)9-12(2)10-14(17)4/h9-10,15,19H,5-8,11H2,1-4H3,(H,20,21)(H,22,23)