(phenylmethyl) 2-[2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethoxy]ethanoyl]pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethoxy]ethanoyl]pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[2-[2-(3-cyanoanilino)-2-oxo-ethoxy]acetyl]pyrazolidine-1-carboxylate CAS Name: 2-[2-[2-(3-cyanoanilino)-2-oxoethoxy]-1-oxoethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[2-(3-cyanoanilino)-2-oxoethoxy]acetyl]pyrazolidine-1-carboxylate Traditional Name: 2-[2-[2-(3-cyanoanilino)-2-keto-ethoxy]acetyl]pyrazolidine-1-carboxylic acid benzyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)COCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)COCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H22N4O5/c23-13-18-8-4-9-19(12-18)24-20(27)15-30-16-21(28)25-10-5-11-26(25)22(29)31-14-17-6-2-1-3-7-17/h1-4,6-9,12H,5,10-11,14-16H2,(H,24,27)