methyl 1-[[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl]cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: methyl 1-[[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl]cyclohexa-2,4-diene-1-carboxylate Openeye Name: methyl 1-[[4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]phenyl]methyl]cyclohexa-2,4-diene-1-carboxylate CAS Name: 1-[[4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]phenyl]methyl]-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl]cyclohexa-2,4-diene-1-carboxylate Traditional Name: 1-[4-[4-[2-(4-piperidyl)ethyl]piperazino]benzyl]cyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C26H37N3O2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC=CC=C1)CC2=CC=C(C=C2)N3CCN(CC3)CCC4CCNCC4

Isomeric SMILES

COC(=O)C1(CC=CC=C1)CC2=CC=C(C=C2)N3CCN(CC3)CCC4CCNCC4

InChI

InChI=1S/C26H37N3O2/c1-31-25(30)26(12-3-2-4-13-26)21-23-5-7-24(8-6-23)29-19-17-28(18-20-29)16-11-22-9-14-27-15-10-22/h2-8,12,22,27H,9-11,13-21H2,1H3