O8-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl] O1-methyl octanedioate

Systemtic Name: O8-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl] O1-methyl octanedioate Openeye Name: O8-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] O1-methyl octanedioate CAS Name: octanedioic acid O8-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl] ester O1-methyl ester IUPAC Name: 8-O-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] 1-O-methyl octanedioate Traditional Name: suberic acid O8-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenyl] ester O1-methyl ester Formula: C29H40N2O6 MolecularWeight: 512.6377

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OC(=O)CCCCCCC(=O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OC(=O)CCCCCCC(=O)OC)OC

InChI

InChI=1S/C29H40N2O6/c1-34-25-16-15-24(22-31-19-17-30(18-20-31)21-23-11-7-6-8-12-23)28(29(25)36-3)37-27(33)14-10-5-4-9-13-26(32)35-2/h6-8,11-12,15-16H,4-5,9-10,13-14,17-22H2,1-3H3