4-(hexylamino)-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-(hexylamino)-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid Openeye Name: 3-(benzylamino)-4-(hexylamino)-4-oxo-butanoic acid CAS Name: 4-(hexylamino)-4-oxo-3-[(phenylmethyl)amino]butanoic acid IUPAC Name: 3-(benzylamino)-4-(hexylamino)-4-oxobutanoic acid Traditional Name: 3-(benzylamino)-4-(hexylamino)-4-keto-butyric acid Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(CC(=O)O)NCC1=CC=CC=C1

Isomeric SMILES

CCCCCCNC(=O)C(CC(=O)O)NCC1=CC=CC=C1

InChI

InChI=1S/C17H26N2O3/c1-2-3-4-8-11-18-17(22)15(12-16(20)21)19-13-14-9-6-5-7-10-14/h5-7,9-10,15,19H,2-4,8,11-13H2,1H3,(H,18,22)(H,20,21)