[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CC4CCCC(C3)C4=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CC4CCCC(C3)C4=O

InChI

InChI=1S/C25H27NO4/c1-16-10-12-21(13-11-16)26-24(28)23(17-6-3-2-4-7-17)30-25(29)20-14-18-8-5-9-19(15-20)22(18)27/h2-4,6-7,10-13,18-20,23H,5,8-9,14-15H2,1H3,(H,26,28)