[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C21H27NO3/c1-12-4-3-5-18(13(12)2)22-19(23)11-25-21(24)20-16-7-14-6-15(9-16)10-17(20)8-14/h3-5,14-17,20H,6-11H2,1-2H3,(H,22,23)