4-[[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]amino]butanoic acid

Systemtic Name: 4-[[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]amino]butanoic acid Openeye Name: 4-[[3-(4-cyanoanilino)-3-oxo-propyl]amino]butanoic acid CAS Name: 4-[[3-(4-cyanoanilino)-3-oxopropyl]amino]butanoic acid IUPAC Name: 4-[[3-(4-cyanoanilino)-3-oxopropyl]amino]butanoic acid Traditional Name: 4-[[3-(4-cyanoanilino)-3-keto-propyl]amino]butyric acid Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)CCNCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CCNCCCC(=O)O

InChI

InChI=1S/C14H17N3O3/c15-10-11-3-5-12(6-4-11)17-13(18)7-9-16-8-1-2-14(19)20/h3-6,16H,1-2,7-9H2,(H,17,18)(H,19,20)