methyl 2-[3-[phenyl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phenyl]propanoate

Systemtic Name: methyl 2-[3-[phenyl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phenyl]propanoate Openeye Name: methyl 2-[3-[phenyl-[4-(2-thienylmethyl)piperazin-1-yl]methyl]phenyl]propanoate CAS Name: 2-[3-[phenyl-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[3-[phenyl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phenyl]propanoate Traditional Name: 2-[3-[phenyl-[4-(2-thenyl)piperazino]methyl]phenyl]propionic acid methyl ester Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CS4)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC(=C1)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CS4)C(=O)OC

InChI

InChI=1S/C26H30N2O2S/c1-20(26(29)30-2)22-10-6-11-23(18-22)25(21-8-4-3-5-9-21)28-15-13-27(14-16-28)19-24-12-7-17-31-24/h3-12,17-18,20,25H,13-16,19H2,1-2H3