[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31NO4/c1-15-3-4-16(2)20(7-15)21(26)5-6-23(28)29-14-22(27)25-24-11-17-8-18(12-24)10-19(9-17)13-24/h3-4,7,17-19H,5-6,8-14H2,1-2H3,(H,25,27)