[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-(1-adamantyl)-2-bromanyl-ethanoate

Systemtic Name: [2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-(1-adamantyl)-2-bromanyl-ethanoate Openeye Name: [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] (2R)-2-(1-adamantyl)-2-bromo-acetate CAS Name: (2R)-2-(1-adamantyl)-2-bromoacetic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(1-adamantyl)-2-bromoacetate Traditional Name: (2R)-2-(1-adamantyl)-2-bromo-acetic acid [2-keto-2-(o-anisylamino)ethyl] ester Formula: C22H28BrNO4 MolecularWeight: 450.36602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)COC(=O)C(C23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)COC(=O)[C@@H](C23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C22H28BrNO4/c1-27-18-5-3-2-4-17(18)12-24-19(25)13-28-21(26)20(23)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16,20H,6-13H2,1H3,(H,24,25)/t14?,15?,16?,20-,22?/m0/s1