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

Systemtic Name: 3-phenylpropyl 2-[1-[3-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(3-isopentyloxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-(3-methylbutoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[3-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-isoamoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O5/c1-20(2)13-17-33-23-12-6-11-22(18-23)27(32)29-15-14-28-26(31)24(29)19-25(30)34-16-7-10-21-8-4-3-5-9-21/h3-6,8-9,11-12,18,20,24H,7,10,13-17,19H2,1-2H3,(H,28,31)