[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C=CC1=C(C=CC(=C1)Br)OC

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)/C=C/C1=C(C=CC(=C1)Br)OC

InChI

InChI=1S/C17H21BrN2O5/c1-3-4-9-19-17(23)20-15(21)11-25-16(22)8-5-12-10-13(18)6-7-14(12)24-2/h5-8,10H,3-4,9,11H2,1-2H3,(H2,19,20,21,23)/b8-5+