(phenylmethyl) 2-(4-oxidanylidene-4-phenylazanyl-butanoyl)pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-oxidanylidene-4-phenylazanyl-butanoyl)pyrazolidine-1-carboxylate Openeye Name: benzyl 2-(4-anilino-4-oxo-butanoyl)pyrazolidine-1-carboxylate CAS Name: 2-(4-anilino-1,4-dioxobutyl)-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-anilino-4-oxobutanoyl)pyrazolidine-1-carboxylate Traditional Name: 2-(4-anilino-4-keto-butanoyl)pyrazolidine-1-carboxylic acid benzyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c25-19(22-18-10-5-2-6-11-18)12-13-20(26)23-14-7-15-24(23)21(27)28-16-17-8-3-1-4-9-17/h1-6,8-11H,7,12-16H2,(H,22,25)