[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C20H22BrNO4/c1-2-3-5-15-8-10-17(11-9-15)22-19(23)13-26-20(24)14-25-18-7-4-6-16(21)12-18/h4,6-12H,2-3,5,13-14H2,1H3,(H,22,23)