[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-(cyclohexylamino)-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-(cyclohexylamino)-5-oxidanylidene-pentanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 5-(cyclohexylamino)-5-oxo-pentanoate CAS Name: 5-(cyclohexylamino)-5-oxopentanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate Traditional Name: 5-(cyclohexylamino)-5-keto-valeric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H27BrN2O4 MolecularWeight: 439.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)Br

InChI

InChI=1S/C20H27BrN2O4/c1-14-12-16(10-11-17(14)21)23-19(25)13-27-20(26)9-5-8-18(24)22-15-6-3-2-4-7-15/h10-12,15H,2-9,13H2,1H3,(H,22,24)(H,23,25)