4-[(4-hexylphenyl)amino]-2-methylidene-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-hexylphenyl)amino]-2-methylidene-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-hexylanilino)-2-methylene-4-oxo-butanoic acid CAS Name: 4-(4-hexylanilino)-2-methylene-4-oxobutanoic acid IUPAC Name: 4-(4-hexylanilino)-2-methylidene-4-oxobutanoic acid Traditional Name: 2-[2-(4-hexylanilino)-2-keto-ethyl]acrylic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC(=O)CC(=C)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC(=O)CC(=C)C(=O)O

InChI

InChI=1S/C17H23NO3/c1-3-4-5-6-7-14-8-10-15(11-9-14)18-16(19)12-13(2)17(20)21/h8-11H,2-7,12H2,1H3,(H,18,19)(H,20,21)