[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H25BrN2O4/c22-21-8-13-5-14(9-21)7-20(6-13,12-21)10-18(26)28-11-17(25)24-16-3-1-15(2-4-16)19(23)27/h1-4,13-14H,5-12H2,(H2,23,27)(H,24,25)