2-(aminocarbonylamino)-4-[3-methylhexyl(phenyl)amino]-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 2-(aminocarbonylamino)-4-[3-methylhexyl(phenyl)amino]-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-[N-(3-methylhexyl)anilino]-4-oxo-2-phenyl-2-ureido-butanoic acid CAS Name: 2-(carbamoylamino)-4-[N-(3-methylhexyl)anilino]-4-oxo-2-phenylbutanoic acid IUPAC Name: 2-(carbamoylamino)-4-[N-(3-methylhexyl)anilino]-4-oxo-2-phenylbutanoic acid Traditional Name: 4-keto-4-[N-(3-methylhexyl)anilino]-2-phenyl-2-ureido-butyric acid Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCN(C1=CC=CC=C1)C(=O)CC(C2=CC=CC=C2)(C(=O)O)NC(=O)N

Isomeric SMILES

CCCC(C)CCN(C1=CC=CC=C1)C(=O)CC(C2=CC=CC=C2)(C(=O)O)NC(=O)N

InChI

InChI=1S/C24H31N3O4/c1-3-10-18(2)15-16-27(20-13-8-5-9-14-20)21(28)17-24(22(29)30,26-23(25)31)19-11-6-4-7-12-19/h4-9,11-14,18H,3,10,15-17H2,1-2H3,(H,29,30)(H3,25,26,31)