[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)OCC

InChI

InChI=1S/C23H31NO5/c1-3-27-19-6-5-18(12-20(19)28-4-2)24-21(25)13-29-23(26)22-16-8-14-7-15(10-16)11-17(22)9-14/h5-6,12,14-17,22H,3-4,7-11,13H2,1-2H3,(H,24,25)