ethyl 1-[2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-o-phenetylpiperazino)methyl]phenyl]isonipecotic acid ethyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC=C3N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC=C3N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C27H37N3O3/c1-3-32-26-12-8-7-11-25(26)30-19-17-28(18-20-30)21-23-9-5-6-10-24(23)29-15-13-22(14-16-29)27(31)33-4-2/h5-12,22H,3-4,13-21H2,1-2H3