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

Systemtic Name: [2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-oxo-2-(4-sec-butylanilino)ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(4-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylanilino)-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-keto-2-(4-sec-butylanilino)ethyl] ester Formula: C24H32BrNO3 MolecularWeight: 462.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32BrNO3/c1-3-16(2)19-4-6-20(7-5-19)26-21(27)14-29-22(28)13-23-9-17-8-18(10-23)12-24(25,11-17)15-23/h4-7,16-18H,3,8-15H2,1-2H3,(H,26,27)