3-phenylpropyl 2-[1-[2-(2-butan-2-ylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[2-(2-butan-2-ylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[3-oxo-1-[2-(2-sec-butylphenoxy)butanoyl]piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-butan-2-ylphenoxy)-1-oxobutyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[2-(2-butan-2-ylphenoxy)butanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(2-sec-butylphenoxy)butanoyl]piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(CC)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(CC)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C29H38N2O5/c1-4-21(3)23-15-9-10-16-26(23)36-25(5-2)29(34)31-18-17-30-28(33)24(31)20-27(32)35-19-11-14-22-12-7-6-8-13-22/h6-10,12-13,15-16,21,24-25H,4-5,11,14,17-20H2,1-3H3,(H,30,33)