[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-phenylbenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-phenylbenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-phenylbenzoate CAS Name: 2-phenylbenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-phenylbenzoate Traditional Name: 2-phenylbenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C26H29NO3/c28-24(27-17-26-13-18-10-19(14-26)12-20(11-18)15-26)16-30-25(29)23-9-5-4-8-22(23)21-6-2-1-3-7-21/h1-9,18-20H,10-17H2,(H,27,28)