3-phenylpropyl 2-[1-[2-(2,6-dimethylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[2-(2,6-dimethylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-[2-(2,6-dimethylphenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2,6-dimethylphenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[2-(2,6-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2,6-dimethylphenoxy)propanoyl]-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5/c1-18-9-7-10-19(2)24(18)33-20(3)26(31)28-15-14-27-25(30)22(28)17-23(29)32-16-8-13-21-11-5-4-6-12-21/h4-7,9-12,20,22H,8,13-17H2,1-3H3,(H,27,30)