methyl 4-oxidanyl-3-[phenyl-[4-(phenylmethyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-oxidanyl-3-[phenyl-[4-(phenylmethyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[(4-benzylpiperazin-1-yl)-phenyl-methyl]-4-hydroxy-benzoate CAS Name: 4-hydroxy-3-[phenyl-[4-(phenylmethyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-benzylpiperazin-1-yl)-phenylmethyl]-4-hydroxybenzoate Traditional Name: 3-[(4-benzylpiperazino)-phenyl-methyl]-4-hydroxy-benzoic acid methyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)O)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-31-26(30)22-12-13-24(29)23(18-22)25(21-10-6-3-7-11-21)28-16-14-27(15-17-28)19-20-8-4-2-5-9-20/h2-13,18,25,29H,14-17,19H2,1H3