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

Systemtic Name: 4-[(4-butylphenyl)amino]-2-(hexylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-butylanilino)-2-(hexylamino)-4-oxo-butanoic acid CAS Name: 4-(4-butylanilino)-2-(hexylamino)-4-oxobutanoic acid IUPAC Name: 4-(4-butylanilino)-2-(hexylamino)-4-oxobutanoic acid Traditional Name: 4-(4-butylanilino)-2-(hexylamino)-4-keto-butyric acid Formula: C20H32N2O3 MolecularWeight: 348.47968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(CC(=O)NC1=CC=C(C=C1)CCCC)C(=O)O

Isomeric SMILES

CCCCCCNC(CC(=O)NC1=CC=C(C=C1)CCCC)C(=O)O

InChI

InChI=1S/C20H32N2O3/c1-3-5-7-8-14-21-18(20(24)25)15-19(23)22-17-12-10-16(11-13-17)9-6-4-2/h10-13,18,21H,3-9,14-15H2,1-2H3,(H,22,23)(H,24,25)