methyl 1-[6-bromanyl-3-[(4-methylphenyl)carbamoyl]-2-oxidanylidene-3,4-dihydrochromen-4-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[6-bromanyl-3-[(4-methylphenyl)carbamoyl]-2-oxidanylidene-3,4-dihydrochromen-4-yl]cyclohexane-1-carboxylate Openeye Name: methyl 1-[6-bromo-2-oxo-3-(p-tolylcarbamoyl)chroman-4-yl]cyclohexanecarboxylate CAS Name: 1-[6-bromo-3-[(4-methylanilino)-oxomethyl]-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-bromo-3-[(4-methylphenyl)carbamoyl]-2-oxo-3,4-dihydrochromen-4-yl]cyclohexane-1-carboxylate Traditional Name: 1-[6-bromo-2-keto-3-(p-tolylcarbamoyl)chroman-4-yl]cyclohexanecarboxylic acid methyl ester Formula: C25H26BrNO5 MolecularWeight: 500.38164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2C(C3=C(C=CC(=C3)Br)OC2=O)C4(CCCCC4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2C(C3=C(C=CC(=C3)Br)OC2=O)C4(CCCCC4)C(=O)OC

InChI

InChI=1S/C25H26BrNO5/c1-15-6-9-17(10-7-15)27-22(28)20-21(25(24(30)31-2)12-4-3-5-13-25)18-14-16(26)8-11-19(18)32-23(20)29/h6-11,14,20-21H,3-5,12-13H2,1-2H3,(H,27,28)