4-oxidanylidene-4-[[6-[(phenylmethyl)amino]pyridin-3-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[6-[(phenylmethyl)amino]pyridin-3-yl]amino]butanoic acid Openeye Name: 4-[[6-(benzylamino)-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[[6-[(phenylmethyl)amino]-3-pyridinyl]amino]butanoic acid IUPAC Name: 4-[[6-(benzylamino)pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-(benzylamino)-3-pyridyl]amino]-4-keto-butyric acid Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C16H17N3O3/c20-15(8-9-16(21)22)19-13-6-7-14(18-11-13)17-10-12-4-2-1-3-5-12/h1-7,11H,8-10H2,(H,17,18)(H,19,20)(H,21,22)