ethyl 7-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]heptanoate

Systemtic Name: ethyl 7-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]heptanoate Openeye Name: ethyl 7-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]heptanoate CAS Name: 7-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]heptanoate Traditional Name: 7-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]enanthic acid ethyl ester Formula: C29H42N2O5 MolecularWeight: 498.65418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C29H42N2O5/c1-4-35-27(32)14-10-5-6-11-21-36-28-25(15-16-26(33-2)29(28)34-3)23-31-19-17-30(18-20-31)22-24-12-8-7-9-13-24/h7-9,12-13,15-16H,4-6,10-11,14,17-23H2,1-3H3