[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C21H26BrNO3 MolecularWeight: 420.34004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H26BrNO3/c1-14-2-4-17(5-3-14)23-18(24)12-26-19(25)11-20-7-15-6-16(8-20)10-21(22,9-15)13-20/h2-5,15-16H,6-13H2,1H3,(H,23,24)/t15-,16+,20?,21?