1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxidanylidene-2-phenyl-2,3-dihydrochromene-8-carboxylate hydrate hydrochloride

Systemtic Name: 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxidanylidene-2-phenyl-2,3-dihydrochromene-8-carboxylate hydrate hydrochloride Openeye Name: [1-methyl-2-(1-piperidyl)ethyl] 3-methyl-4-oxo-2-phenyl-chromane-8-carboxylate hydrate hydrochloride CAS Name: 3-methyl-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-carboxylic acid 1-(1-piperidinyl)propan-2-yl ester hydrate hydrochloride IUPAC Name: 1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenyl-2,3-dihydrochromene-8-carboxylate hydrate hydrochloride Traditional Name: 4-keto-3-methyl-2-phenyl-chroman-8-carboxylic acid (1-methyl-2-piperidino-ethyl) ester hydrate hydrochloride Formula: C25H32ClNO5 MolecularWeight: 461.97828

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C1=O)C=CC=C2C(=O)OC(C)CN3CCCCC3)C4=CC=CC=C4.O.Cl

Isomeric SMILES

CC1C(OC2=C(C1=O)C=CC=C2C(=O)OC(C)CN3CCCCC3)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C25H29NO4.ClH.H2O/c1-17(16-26-14-7-4-8-15-26)29-25(28)21-13-9-12-20-22(27)18(2)23(30-24(20)21)19-10-5-3-6-11-19;;/h3,5-6,9-13,17-18,23H,4,7-8,14-16H2,1-2H3;1H;1H2