4-[(4-chlorophenyl)amino]-2-(2-ethylhexylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-chlorophenyl)amino]-2-(2-ethylhexylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-chloroanilino)-2-(2-ethylhexylamino)-4-oxo-butanoic acid CAS Name: 4-(4-chloroanilino)-2-(2-ethylhexylamino)-4-oxobutanoic acid IUPAC Name: 4-(4-chloroanilino)-2-(2-ethylhexylamino)-4-oxobutanoic acid Traditional Name: 4-(4-chloroanilino)-2-(2-ethylhexylamino)-4-keto-butyric acid Formula: C18H27ClN2O3 MolecularWeight: 354.87158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CCCCC(CC)CNC(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C18H27ClN2O3/c1-3-5-6-13(4-2)12-20-16(18(23)24)11-17(22)21-15-9-7-14(19)8-10-15/h7-10,13,16,20H,3-6,11-12H2,1-2H3,(H,21,22)(H,23,24)