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

Systemtic Name: 3-phenylpropyl 2-[1-(3-butoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(3-butoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(3-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-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(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

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