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

Systemtic Name: methyl 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]pentanoate Openeye Name: methyl 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]pentanoate CAS Name: 2-[3-[4-(4-methyl-1-piperazinyl)phenyl]phenyl]pentanoic acid methyl ester IUPAC Name: methyl 2-[3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]pentanoate Traditional Name: 2-[3-[4-(4-methylpiperazino)phenyl]phenyl]valeric acid methyl ester Formula: C23H30N2O2 MolecularWeight: 366.4965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2/c1-4-6-22(23(26)27-3)20-8-5-7-19(17-20)18-9-11-21(12-10-18)25-15-13-24(2)14-16-25/h5,7-12,17,22H,4,6,13-16H2,1-3H3