[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO3/c1-2-3-4-16-5-7-20(8-6-16)24-21(25)15-27-22(26)23-12-17-9-18(13-23)11-19(10-17)14-23/h5-8,17-19H,2-4,9-15H2,1H3,(H,24,25)