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

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C21H26BrNO3/c1-13-2-3-17(7-18(13)22)23-19(24)12-26-20(25)11-21-8-14-4-15(9-21)6-16(5-14)10-21/h2-3,7,14-16H,4-6,8-12H2,1H3,(H,23,24)