[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-methyl-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-methyl-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-13-3-4-17(8-18(13)25-2)20(24)26-12-19(23)22-21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,14-16H,5-7,9-12H2,1-2H3,(H,22,23)