methyl 2-[4-[3-(4-acetyloxyphenyl)-2-(butylamino)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[4-[3-(4-acetyloxyphenyl)-2-(butylamino)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[4-[3-(4-acetoxyphenyl)-2-(butylamino)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[4-[3-(4-acetyloxyphenyl)-2-(butylamino)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[3-(4-acetyloxyphenyl)-2-(butylamino)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[4-[3-(4-acetoxyphenyl)-2-(butylamino)propanoyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C22H31N3O6 MolecularWeight: 433.49804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(CC1=CC=C(C=C1)OC(=O)C)C(=O)N2CCNC(C2=O)CC(=O)OC

Isomeric SMILES

CCCCNC(CC1=CC=C(C=C1)OC(=O)C)C(=O)N2CCNC(C2=O)CC(=O)OC

InChI

InChI=1S/C22H31N3O6/c1-4-5-10-23-18(13-16-6-8-17(9-7-16)31-15(2)26)21(28)25-12-11-24-19(22(25)29)14-20(27)30-3/h6-9,18-19,23-24H,4-5,10-14H2,1-3H3