[1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-pyridin-3-yl-propan-2-yl]carbamic acid; methylcyclohexane

Systemtic Name: [1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-pyridin-3-yl-propan-2-yl]carbamic acid; methylcyclohexane Openeye Name: [1-[[4-(2-methoxyphenyl)-1-piperidyl]methyl]-2-(3-pyridyl)ethyl]carbamic acid; methylcyclohexane CAS Name: [1-[4-(2-methoxyphenyl)-1-piperidinyl]-3-(3-pyridinyl)propan-2-yl]carbamic acid; methylcyclohexane IUPAC Name: [1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-pyridin-3-ylpropan-2-yl]carbamic acid; methylcyclohexane Traditional Name: [1-[[4-(2-methoxyphenyl)piperidino]methyl]-2-(3-pyridyl)ethyl]carbamic acid; methylcyclohexane Formula: C28H41N3O3 MolecularWeight: 467.64344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1.COC1=CC=CC=C1C2CCN(CC2)CC(CC3=CN=CC=C3)NC(=O)O

Isomeric SMILES

CC1CCCCC1.COC1=CC=CC=C1C2CCN(CC2)CC(CC3=CN=CC=C3)NC(=O)O

InChI

InChI=1S/C21H27N3O3.C7H14/c1-27-20-7-3-2-6-19(20)17-8-11-24(12-9-17)15-18(23-21(25)26)13-16-5-4-10-22-14-16;1-7-5-3-2-4-6-7/h2-7,10,14,17-18,23H,8-9,11-13,15H2,1H3,(H,25,26);7H,2-6H2,1H3