[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-methanoylbenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(C=C4)C=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(C=C4)C=O

InChI

InChI=1S/C20H23NO4/c22-11-13-1-3-17(4-2-13)19(24)25-12-18(23)21-20-8-14-5-15(9-20)7-16(6-14)10-20/h1-4,11,14-16H,5-10,12H2,(H,21,23)