4-[dodecan-4-yl(phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[dodecan-4-yl(phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-[N-(1-propylnonyl)anilino]butanoic acid CAS Name: 4-(N-dodecan-4-ylanilino)-4-oxobutanoic acid IUPAC Name: 4-(N-dodecan-4-ylanilino)-4-oxobutanoic acid Traditional Name: 4-keto-4-[N-(1-propylnonyl)anilino]butyric acid Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC)N(C1=CC=CC=C1)C(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCC(CCC)N(C1=CC=CC=C1)C(=O)CCC(=O)O

InChI

InChI=1S/C22H35NO3/c1-3-5-6-7-8-10-14-19(13-4-2)23(20-15-11-9-12-16-20)21(24)17-18-22(25)26/h9,11-12,15-16,19H,3-8,10,13-14,17-18H2,1-2H3,(H,25,26)