methyl 3-[[4-[furan-2-ylcarbonyl-(5-methylpyridin-2-yl)amino]piperidin-1-yl]methyl]adamantane-1-carboxylate hydrochloride

Systemtic Name: methyl 3-[[4-[furan-2-ylcarbonyl-(5-methylpyridin-2-yl)amino]piperidin-1-yl]methyl]adamantane-1-carboxylate hydrochloride Openeye Name: methyl 3-[[4-[furan-2-carbonyl-(5-methyl-2-pyridyl)amino]-1-piperidyl]methyl]adamantane-1-carboxylate hydrochloride CAS Name: 3-[[4-[[2-furanyl(oxo)methyl]-(5-methyl-2-pyridinyl)amino]-1-piperidinyl]methyl]-1-adamantanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 3-[[4-[furan-2-carbonyl-(5-methylpyridin-2-yl)amino]piperidin-1-yl]methyl]adamantane-1-carboxylate hydrochloride Traditional Name: 3-[[4-[2-furoyl-(5-methyl-2-pyridyl)amino]piperidino]methyl]adamantane-1-carboxylic acid methyl ester hydrochloride Formula: C29H38ClN3O4 MolecularWeight: 528.08272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N(C2CCN(CC2)CC34CC5CC(C3)CC(C5)(C4)C(=O)OC)C(=O)C6=CC=CO6.Cl

Isomeric SMILES

CC1=CN=C(C=C1)N(C2CCN(CC2)CC34CC5CC(C3)CC(C5)(C4)C(=O)OC)C(=O)C6=CC=CO6.Cl

InChI

InChI=1S/C29H37N3O4.ClH/c1-20-5-6-25(30-17-20)32(26(33)24-4-3-11-36-24)23-7-9-31(10-8-23)19-28-13-21-12-22(14-28)16-29(15-21,18-28)27(34)35-2;/h3-6,11,17,21-23H,7-10,12-16,18-19H2,1-2H3;1H