3-phenylpropyl 2-[1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-[2-[4-(1,1-dimethylpropyl)phenoxy]acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-[4-(2-methylbutan-2-yl)phenoxy]-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-tert-amylphenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O5/c1-4-28(2,3)22-12-14-23(15-13-22)35-20-25(31)30-17-16-29-27(33)24(30)19-26(32)34-18-8-11-21-9-6-5-7-10-21/h5-7,9-10,12-15,24H,4,8,11,16-20H2,1-3H3,(H,29,33)