3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylic acid; 2-piperidin-1-ylethanol; hydrochloride

Systemtic Name: 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylic acid; 2-piperidin-1-ylethanol; hydrochloride Openeye Name: 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylic acid; 2-(1-piperidyl)ethanol; hydrochloride CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid; 2-(1-piperidinyl)ethanol; hydrochloride IUPAC Name: 3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid; 2-piperidin-1-ylethanol; hydrochloride Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid; 2-piperidinoethanol; hydrochloride Formula: C24H28ClNO5 MolecularWeight: 445.93582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O)C3=CC=CC=C3.C1CCN(CC1)CCO.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O)C3=CC=CC=C3.C1CCN(CC1)CCO.Cl

InChI

InChI=1S/C17H12O4.C7H15NO.ClH/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11;9-7-6-8-4-2-1-3-5-8;/h2-9H,1H3,(H,19,20);9H,1-7H2;1H