4-[4-[2-[azanyl-(3-cyanophenyl)amino]-2-oxidanylidene-ethoxy]phenoxy]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-[2-[azanyl-(3-cyanophenyl)amino]-2-oxidanylidene-ethoxy]phenoxy]piperidine-1-carboxylic acid Openeye Name: 4-[4-[2-(N-amino-3-cyano-anilino)-2-oxo-ethoxy]phenoxy]piperidine-1-carboxylic acid CAS Name: 4-[4-[2-(N-amino-3-cyanoanilino)-2-oxoethoxy]phenoxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-[2-(N-amino-3-cyanoanilino)-2-oxoethoxy]phenoxy]piperidine-1-carboxylic acid Traditional Name: 4-[4-[2-(N-amino-3-cyano-anilino)-2-keto-ethoxy]phenoxy]piperidine-1-carboxylic acid Formula: C21H22N4O5 MolecularWeight: 410.42318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)OCC(=O)N(C3=CC=CC(=C3)C#N)N)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)OCC(=O)N(C3=CC=CC(=C3)C#N)N)C(=O)O

InChI

InChI=1S/C21H22N4O5/c22-13-15-2-1-3-16(12-15)25(23)20(26)14-29-17-4-6-18(7-5-17)30-19-8-10-24(11-9-19)21(27)28/h1-7,12,19H,8-11,14,23H2,(H,27,28)