ethyl 4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxo-butanoate CAS Name: 4-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanoate Traditional Name: 4-keto-4-[3-[(4-methylpiperazino)methyl]phenyl]butyric acid ethyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C

Isomeric SMILES

CCOC(=O)CCC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C

InChI

InChI=1S/C18H26N2O3/c1-3-23-18(22)8-7-17(21)16-6-4-5-15(13-16)14-20-11-9-19(2)10-12-20/h4-6,13H,3,7-12,14H2,1-2H3