[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C22H28BrNO4 MolecularWeight: 450.36602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H28BrNO4/c1-27-18-4-2-3-15(6-18)12-24-19(25)13-28-20(26)11-21-7-16-5-17(8-21)10-22(23,9-16)14-21/h2-4,6,16-17H,5,7-14H2,1H3,(H,24,25)/t16-,17+,21?,22?