3-phenylpropyl 2-[1-(2-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-(2-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(2-butoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(2-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(2-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-butoxybenzoyl)-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:

CCCCOC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

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