methyl (4S)-4-methyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]hexanoate

Systemtic Name: methyl (4S)-4-methyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]hexanoate Openeye Name: methyl (4S)-4-methyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]hexanoate CAS Name: (4S)-4-methyl-2-[3-[4-(4-methyl-1-piperazinyl)phenyl]phenyl]hexanoic acid methyl ester IUPAC Name: methyl (4S)-4-methyl-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]hexanoate Traditional Name: (4S)-4-methyl-2-[3-[4-(4-methylpiperazino)phenyl]phenyl]hexanoic acid methyl ester Formula: C25H34N2O2 MolecularWeight: 394.54966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)C)C(=O)OC

Isomeric SMILES

CC[C@H](C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)C)C(=O)OC

InChI

InChI=1S/C25H34N2O2/c1-5-19(2)17-24(25(28)29-4)22-8-6-7-21(18-22)20-9-11-23(12-10-20)27-15-13-26(3)14-16-27/h6-12,18-19,24H,5,13-17H2,1-4H3/t19-,24?/m0/s1