3-phenylpropyl 2-[1-[3,5-bis(chloranyl)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[3,5-bis(chloranyl)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(3,5-dichlorobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3,5-dichlorophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3,5-dichlorobenzoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C22H22Cl2N2O4 MolecularWeight: 449.32708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C22H22Cl2N2O4/c23-17-11-16(12-18(24)13-17)22(29)26-9-8-25-21(28)19(26)14-20(27)30-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,11-13,19H,4,7-10,14H2,(H,25,28)