phenethyl 2-[1-[2-(2-butan-2-ylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-[2-(2-butan-2-ylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[3-oxo-1-[2-(2-sec-butylphenoxy)propanoyl]piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-butan-2-ylphenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[2-(2-butan-2-ylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(2-sec-butylphenoxy)propanoyl]piperazin-2-yl]acetic acid phenethyl ester Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O5/c1-4-19(2)22-12-8-9-13-24(22)34-20(3)27(32)29-16-15-28-26(31)23(29)18-25(30)33-17-14-21-10-6-5-7-11-21/h5-13,19-20,23H,4,14-18H2,1-3H3,(H,28,31)