4-[(2-ethylphenyl)amino]-2-(hexylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-ethylphenyl)amino]-2-(hexylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-ethylanilino)-2-(hexylamino)-4-oxo-butanoic acid CAS Name: 4-(2-ethylanilino)-2-(hexylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-ethylanilino)-2-(hexylamino)-4-oxobutanoic acid Traditional Name: 4-(2-ethylanilino)-2-(hexylamino)-4-keto-butyric acid Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(CC(=O)NC1=CC=CC=C1CC)C(=O)O

Isomeric SMILES

CCCCCCNC(CC(=O)NC1=CC=CC=C1CC)C(=O)O

InChI

InChI=1S/C18H28N2O3/c1-3-5-6-9-12-19-16(18(22)23)13-17(21)20-15-11-8-7-10-14(15)4-2/h7-8,10-11,16,19H,3-6,9,12-13H2,1-2H3,(H,20,21)(H,22,23)