[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C26H29NO4/c1-17-7-9-21(10-8-17)27-23(28)22(20-5-3-2-4-6-20)31-24(29)25-12-18-11-19(13-25)15-26(30,14-18)16-25/h2-10,18-19,22,30H,11-16H2,1H3,(H,27,28)