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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCNC(=O)CCC(=O)O

InChI

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