[(1S,2R)-2-piperidin-1-ylcyclohexyl] 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate hydrochloride

Systemtic Name: [(1S,2R)-2-piperidin-1-ylcyclohexyl] 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate hydrochloride Openeye Name: [(1S,2R)-2-(1-piperidyl)cyclohexyl] 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate hydrochloride CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid [(1S,2R)-2-(1-piperidinyl)cyclohexyl] ester hydrochloride IUPAC Name: [(1S,2R)-2-piperidin-1-ylcyclohexyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate hydrochloride Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid [(1S,2R)-2-piperidinocyclohexyl] ester hydrochloride Formula: C28H32ClNO4 MolecularWeight: 482.01098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC3CCCCC3N4CCCCC4)C5=CC=CC=C5.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O[C@H]3CCCC[C@H]3N4CCCCC4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C28H31NO4.ClH/c1-19-25(30)21-13-10-14-22(27(21)33-26(19)20-11-4-2-5-12-20)28(31)32-24-16-7-6-15-23(24)29-17-8-3-9-18-29;/h2,4-5,10-14,23-24H,3,6-9,15-18H2,1H3;1H/t23-,24+;/m1./s1