[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H25NO4/c1-13(23)17-3-2-4-18(8-17)22-19(24)12-26-20(25)21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,14-16H,5-7,9-12H2,1H3,(H,22,24)