4-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]butanoic acid Openeye Name: 4-[[2-(benzylamino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-oxo-2-[(phenylmethyl)amino]ethyl]amino]butanoic acid IUPAC Name: 4-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-(benzylamino)-2-keto-ethyl]amino]butyric acid Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CNCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CNCCCC(=O)O

InChI

InChI=1S/C13H18N2O3/c16-12(10-14-8-4-7-13(17)18)15-9-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,15,16)(H,17,18)