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

Systemtic Name: 3-methylbutyl 2-[1-(4-heptoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(4-heptoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-heptoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(4-heptoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-heptoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C25H38N2O5 MolecularWeight: 446.57962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C25H38N2O5/c1-4-5-6-7-8-16-31-21-11-9-20(10-12-21)25(30)27-15-14-26-24(29)22(27)18-23(28)32-17-13-19(2)3/h9-12,19,22H,4-8,13-18H2,1-3H3,(H,26,29)