2-piperidin-1-ylethyl 6-bromanyl-3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate hydrochloride

Systemtic Name: 2-piperidin-1-ylethyl 6-bromanyl-3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate hydrochloride Openeye Name: 2-(1-piperidyl)ethyl 6-bromo-3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate hydrochloride CAS Name: 6-bromo-3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 2-(1-piperidinyl)ethyl ester hydrochloride IUPAC Name: 2-piperidin-1-ylethyl 6-bromo-3-methyl-4-oxo-2-phenylchromene-8-carboxylate hydrochloride Traditional Name: 6-bromo-4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid 2-piperidinoethyl ester hydrochloride Formula: C24H25BrClNO4 MolecularWeight: 506.8166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C=C(C=C2C1=O)Br)C(=O)OCCN3CCCCC3)C4=CC=CC=C4.Cl

Isomeric SMILES

CC1=C(OC2=C(C=C(C=C2C1=O)Br)C(=O)OCCN3CCCCC3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C24H24BrNO4.ClH/c1-16-21(27)19-14-18(25)15-20(23(19)30-22(16)17-8-4-2-5-9-17)24(28)29-13-12-26-10-6-3-7-11-26;/h2,4-5,8-9,14-15H,3,6-7,10-13H2,1H3;1H