(phenylmethyl) 2-[1-(4-heptoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-(4-heptoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-(4-heptoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-heptoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(4-heptoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-heptoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C27H34N2O5 MolecularWeight: 466.56926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O5/c1-2-3-4-5-9-18-33-23-14-12-22(13-15-23)27(32)29-17-16-28-26(31)24(29)19-25(30)34-20-21-10-7-6-8-11-21/h6-8,10-15,24H,2-5,9,16-20H2,1H3,(H,28,31)