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

Systemtic Name: methyl 3-[(4-methoxyphenyl)-[4-(phenylmethyl)piperazin-1-yl]methyl]-4-oxidanyl-benzoate Openeye Name: methyl 3-[(4-benzylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-benzoate CAS Name: 4-hydroxy-3-[(4-methoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-benzylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxybenzoate Traditional Name: 3-[(4-benzylpiperazino)-(4-methoxyphenyl)methyl]-4-hydroxy-benzoic acid methyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=C(C=CC(=C2)C(=O)OC)O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=C(C=CC(=C2)C(=O)OC)O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4/c1-32-23-11-8-21(9-12-23)26(24-18-22(27(31)33-2)10-13-25(24)30)29-16-14-28(15-17-29)19-20-6-4-3-5-7-20/h3-13,18,26,30H,14-17,19H2,1-2H3