2-[(3-cyanophenyl)-[4-[4-(diazanylmethylideneamino)phenyl]butyl]amino]butanoic acid

Systemtic Name: 2-[(3-cyanophenyl)-[4-[4-(diazanylmethylideneamino)phenyl]butyl]amino]butanoic acid Openeye Name: 2-[3-cyano-N-[4-[4-(hydrazinomethyleneamino)phenyl]butyl]anilino]butanoic acid CAS Name: 2-[3-cyano-N-[4-[4-(hydrazinylmethylideneamino)phenyl]butyl]anilino]butanoic acid IUPAC Name: 2-[3-cyano-N-[4-[4-(hydrazinylmethylideneamino)phenyl]butyl]anilino]butanoic acid Traditional Name: 2-[3-cyano-N-[4-[4-(hydrazinomethyleneamino)phenyl]butyl]anilino]butyric acid Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CCCCC1=CC=C(C=C1)N=CNN)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCC(C(=O)O)N(CCCCC1=CC=C(C=C1)N=CNN)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C22H27N5O2/c1-2-21(22(28)29)27(20-8-5-7-18(14-20)15-23)13-4-3-6-17-9-11-19(12-10-17)25-16-26-24/h5,7-12,14,16,21H,2-4,6,13,24H2,1H3,(H,25,26)(H,28,29)