[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCCC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCCC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C21H24N2O4/c22-12-16-3-1-2-4-17(16)23-18(24)5-6-27-19(25)20-8-14-7-15(9-20)11-21(26,10-14)13-20/h1-4,14-15,26H,5-11,13H2,(H,23,24)