2-[(2-azanyl-5-cyano-phenyl)carbonyl-phenyl-amino]ethanoic acid; 4-oxidanylpiperidine-1-carboxamide

Systemtic Name: 2-[(2-azanyl-5-cyano-phenyl)carbonyl-phenyl-amino]ethanoic acid; 4-oxidanylpiperidine-1-carboxamide Openeye Name: 2-(N-(2-amino-5-cyano-benzoyl)anilino)acetic acid; 4-hydroxypiperidine-1-carboxamide CAS Name: 2-(N-[(2-amino-5-cyanophenyl)-oxomethyl]anilino)acetic acid; 4-hydroxy-1-piperidinecarboxamide IUPAC Name: 2-(N-(2-amino-5-cyanobenzoyl)anilino)acetic acid; 4-hydroxypiperidine-1-carboxamide Traditional Name: 2-(N-(2-amino-5-cyano-benzoyl)anilino)acetic acid; 4-hydroxypiperidine-1-carboxamide Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=O)N.C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=C(C=CC(=C2)C#N)N

Isomeric SMILES

C1CN(CCC1O)C(=O)N.C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=C(C=CC(=C2)C#N)N

InChI

InChI=1S/C16H13N3O3.C6H12N2O2/c17-9-11-6-7-14(18)13(8-11)16(22)19(10-15(20)21)12-4-2-1-3-5-12;7-6(10)8-3-1-5(9)2-4-8/h1-8H,10,18H2,(H,20,21);5,9H,1-4H2,(H2,7,10)