ethyl 8-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]octanoate

Systemtic Name: ethyl 8-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]octanoate Openeye Name: ethyl 8-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]octanoate CAS Name: 8-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]octanoic acid ethyl ester IUPAC Name: ethyl 8-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]octanoate Traditional Name: 8-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]caprylic acid ethyl ester Formula: C30H44N2O5 MolecularWeight: 512.68076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C30H44N2O5/c1-4-36-28(33)15-11-6-5-7-12-22-37-29-26(16-17-27(34-2)30(29)35-3)24-32-20-18-31(19-21-32)23-25-13-9-8-10-14-25/h8-10,13-14,16-17H,4-7,11-12,15,18-24H2,1-3H3