methyl 3-(1-phenylethoxy)-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-(1-phenylethoxy)-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]benzoate Openeye Name: methyl 3-(1-phenylethoxy)-4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]benzoate CAS Name: 3-(1-phenylethoxy)-4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-(1-phenylethoxy)-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]benzoate Traditional Name: 3-(1-phenylethoxy)-4-[4-[2-(4-piperidyl)ethyl]piperazino]benzoic acid methyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CCC4CCNCC4

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CCC4CCNCC4

InChI

InChI=1S/C27H37N3O3/c1-21(23-6-4-3-5-7-23)33-26-20-24(27(31)32-2)8-9-25(26)30-18-16-29(17-19-30)15-12-22-10-13-28-14-11-22/h3-9,20-22,28H,10-19H2,1-2H3