[2-(piperidin-1-ylmethyl)cyclohexyl] 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate hydrochloride

Systemtic Name: [2-(piperidin-1-ylmethyl)cyclohexyl] 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate hydrochloride Openeye Name: [2-(1-piperidylmethyl)cyclohexyl] 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate hydrochloride CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid [2-(1-piperidinylmethyl)cyclohexyl] ester hydrochloride IUPAC Name: [2-(piperidin-1-ylmethyl)cyclohexyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate hydrochloride Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid [2-(piperidinomethyl)cyclohexyl] ester hydrochloride Formula: C29H34ClNO4 MolecularWeight: 496.03756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC3CCCCC3CN4CCCCC4)C5=CC=CC=C5.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC3CCCCC3CN4CCCCC4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C29H33NO4.ClH/c1-20-26(31)23-14-10-15-24(28(23)34-27(20)21-11-4-2-5-12-21)29(32)33-25-16-7-6-13-22(25)19-30-17-8-3-9-18-30;/h2,4-5,10-12,14-15,22,25H,3,6-9,13,16-19H2,1H3;1H