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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4/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/h1-4,14-16,22H,5-12H2,(H,21,23)