[(3R)-4-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-3-yl] naphthalene-2-carboxylate

Systemtic Name: [(3R)-4-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-3-yl] naphthalene-2-carboxylate Openeye Name: [(3R)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-piperidyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [(3R)-4-[4-(4-methoxyphenyl)-1-piperazinyl]-3-piperidinyl] ester IUPAC Name: [(3R)-4-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-3-yl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [(3R)-4-[4-(4-methoxyphenyl)piperazino]-3-piperidyl] ester Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCNCC3OC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3CCNC[C@H]3OC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H31N3O3/c1-32-24-10-8-23(9-11-24)29-14-16-30(17-15-29)25-12-13-28-19-26(25)33-27(31)22-7-6-20-4-2-3-5-21(20)18-22/h2-11,18,25-26,28H,12-17,19H2,1H3/t25?,26-/m1/s1