[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H19BrClNO5 MolecularWeight: 468.72556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NCC2=CC(=CC=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H19BrClNO5/c1-27-18-7-5-14(21)10-16(18)17(24)6-8-20(26)28-12-19(25)23-11-13-3-2-4-15(22)9-13/h2-5,7,9-10H,6,8,11-12H2,1H3,(H,23,25)