[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(3-methoxyphenyl)ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(3-methoxyphenyl)ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(3-methoxyphenyl)acetate CAS Name: 2-(3-methoxyphenyl)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate Traditional Name: 2-(3-methoxyphenyl)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO4/c1-25-18-4-2-3-14(8-18)9-20(24)26-13-19(23)22-21-10-15-5-16(11-21)7-17(6-15)12-21/h2-4,8,15-17H,5-7,9-13H2,1H3,(H,22,23)