methyl 10-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]decanoate

Systemtic Name: methyl 10-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]decanoate Openeye Name: methyl 10-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]decanoate CAS Name: 10-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]decanoic acid methyl ester IUPAC Name: methyl 10-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]decanoate Traditional Name: 10-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]capric acid methyl ester Formula: C31H46N2O5 MolecularWeight: 526.70734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N2O5/c1-35-28-18-17-27(25-33-21-19-32(20-22-33)24-26-14-10-9-11-15-26)30(31(28)37-3)38-23-13-8-6-4-5-7-12-16-29(34)36-2/h9-11,14-15,17-18H,4-8,12-13,16,19-25H2,1-3H3