dodecyl 3-[[2-(4-bromanyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate

Systemtic Name: dodecyl 3-[[2-(4-bromanyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate Openeye Name: dodecyl 3-[[2-(4-bromo-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)-3-oxo-propanoyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-(4-bromo-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-4-chlorobenzoic acid dodecyl ester IUPAC Name: dodecyl 3-[[2-(4-bromo-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)-3-oxopropanoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-(4-bromo-1H-pyrazol-5-yl)-3-keto-3-(4-methoxyphenyl)propanoyl]amino]-4-chloro-benzoic acid lauryl ester Formula: C32H39BrClN3O5 MolecularWeight: 661.02616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C2=C(C=NN2)Br)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C2=C(C=NN2)Br)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C32H39BrClN3O5/c1-3-4-5-6-7-8-9-10-11-12-19-42-32(40)23-15-18-26(34)27(20-23)36-31(39)28(29-25(33)21-35-37-29)30(38)22-13-16-24(41-2)17-14-22/h13-18,20-21,28H,3-12,19H2,1-2H3,(H,35,37)(H,36,39)