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

Systemtic Name: methyl 1-[3-[(4-methylphenyl)carbamoyl]-2-oxidanylidene-3,4-dihydrochromen-4-yl]cyclohexane-1-carboxylate Openeye Name: methyl 1-[2-oxo-3-(p-tolylcarbamoyl)chroman-4-yl]cyclohexanecarboxylate CAS Name: 1-[3-[(4-methylanilino)-oxomethyl]-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(4-methylphenyl)carbamoyl]-2-oxo-3,4-dihydrochromen-4-yl]cyclohexane-1-carboxylate Traditional Name: 1-[2-keto-3-(p-tolylcarbamoyl)chroman-4-yl]cyclohexanecarboxylic acid methyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2C(C3=CC=CC=C3OC2=O)C4(CCCCC4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2C(C3=CC=CC=C3OC2=O)C4(CCCCC4)C(=O)OC

InChI

InChI=1S/C25H27NO5/c1-16-10-12-17(13-11-16)26-22(27)20-21(18-8-4-5-9-19(18)31-23(20)28)25(24(29)30-2)14-6-3-7-15-25/h4-5,8-13,20-21H,3,6-7,14-15H2,1-2H3,(H,26,27)