[3-bromanyl-4-[(4-methoxyphenyl)-phenacyl-amino]-4-oxidanylidene-butan-2-yl] ethanoate

Systemtic Name: [3-bromanyl-4-[(4-methoxyphenyl)-phenacyl-amino]-4-oxidanylidene-butan-2-yl] ethanoate Openeye Name: [2-bromo-3-(4-methoxy-N-phenacyl-anilino)-1-methyl-3-oxo-propyl] acetate CAS Name: acetic acid [3-bromo-4-(4-methoxy-N-phenacylanilino)-4-oxobutan-2-yl] ester IUPAC Name: [3-bromo-4-(4-methoxy-N-phenacylanilino)-4-oxobutan-2-yl] acetate Traditional Name: acetic acid [2-bromo-3-keto-3-(4-methoxy-N-phenacyl-anilino)-1-methyl-propyl] ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N(CC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)OC)Br)OC(=O)C

Isomeric SMILES

CC(C(C(=O)N(CC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)OC)Br)OC(=O)C

InChI

InChI=1S/C21H22BrNO5/c1-14(28-15(2)24)20(22)21(26)23(17-9-11-18(27-3)12-10-17)13-19(25)16-7-5-4-6-8-16/h4-12,14,20H,13H2,1-3H3