3-methylbutyl 2-[3-oxidanylidene-1-[2-(4-phenylphenoxy)butanoyl]piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-[2-(4-phenylphenoxy)butanoyl]piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-[2-(4-phenylphenoxy)butanoyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[1-oxo-2-(4-phenylphenoxy)butyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-[2-(4-phenylphenoxy)butanoyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(4-phenylphenoxy)butanoyl]piperazin-2-yl]acetic acid isoamyl ester Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCNC(=O)C1CC(=O)OCCC(C)C)OC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)N1CCNC(=O)C1CC(=O)OCCC(C)C)OC2=CC=C(C=C2)C3=CC=CC=C3

InChI

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