4-piperidin-1-ylbutan-2-yl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate hydrate hydrochloride

Systemtic Name: 4-piperidin-1-ylbutan-2-yl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate hydrate hydrochloride Openeye Name: [1-methyl-3-(1-piperidyl)propyl] 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate hydrate hydrochloride CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 4-(1-piperidinyl)butan-2-yl ester hydrate hydrochloride IUPAC Name: 4-piperidin-1-ylbutan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate hydrate hydrochloride Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid (1-methyl-3-piperidino-propyl) ester hydrate hydrochloride Formula: C26H32ClNO5 MolecularWeight: 473.98898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC(C)CCN3CCCCC3)C4=CC=CC=C4.O.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC(C)CCN3CCCCC3)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C26H29NO4.ClH.H2O/c1-18(14-17-27-15-7-4-8-16-27)30-26(29)22-13-9-12-21-23(28)19(2)24(31-25(21)22)20-10-5-3-6-11-20;;/h3,5-6,9-13,18H,4,7-8,14-17H2,1-2H3;1H;1H2