[6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] (1R,2R)-2-phenylcyclopropane-1-carboxylate

Systemtic Name: [6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] (1R,2R)-2-phenylcyclopropane-1-carboxylate Openeye Name: [6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] (1R,2R)-2-phenylcyclopropanecarboxylate CAS Name: (1R,2R)-2-phenyl-1-cyclopropanecarboxylic acid [6-[(4-ethyl-1-piperazinyl)methyl]-2,3-dimethoxyphenyl] ester IUPAC Name: [6-[(4-ethylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] (1R,2R)-2-phenylcyclopropane-1-carboxylate Traditional Name: (1R,2R)-2-phenylcyclopropanecarboxylic acid [6-[(4-ethylpiperazino)methyl]-2,3-dimethoxy-phenyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)C3CC3C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)[C@@H]3C[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O4/c1-4-26-12-14-27(15-13-26)17-19-10-11-22(29-2)24(30-3)23(19)31-25(28)21-16-20(21)18-8-6-5-7-9-18/h5-11,20-21H,4,12-17H2,1-3H3/t20-,21+/m0/s1