[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(4-methylphenyl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(4-methylphenyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(p-tolyl)benzoate CAS Name: 4-(4-methylphenyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-(4-methylphenyl)benzoate Traditional Name: 4-(p-tolyl)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29NO3/c1-17-2-4-21(5-3-17)22-6-8-23(9-7-22)25(29)30-16-24(28)27-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-9,18-20H,10-16H2,1H3,(H,27,28)