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

Systemtic Name: 3-phenylpropyl 2-[1-(3-butan-2-yloxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[3-oxo-1-(3-sec-butoxybenzoyl)piperazin-2-yl]acetate CAS Name: 2-[1-[(3-butan-2-yloxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(3-butan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(3-sec-butoxybenzoyl)piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

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