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

Systemtic Name: 2-(hexylamino)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoic acid Openeye Name: 2-(hexylamino)-4-(4-isopropylanilino)-4-oxo-butanoic acid CAS Name: 2-(hexylamino)-4-oxo-4-(4-propan-2-ylanilino)butanoic acid IUPAC Name: 2-(hexylamino)-4-oxo-4-(4-propan-2-ylanilino)butanoic acid Traditional Name: 4-cumidino-2-(hexylamino)-4-keto-butyric acid Formula: C19H30N2O3 MolecularWeight: 334.4531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O3/c1-4-5-6-7-12-20-17(19(23)24)13-18(22)21-16-10-8-15(9-11-16)14(2)3/h8-11,14,17,20H,4-7,12-13H2,1-3H3,(H,21,22)(H,23,24)