methyl 3-[[4-(4-bromanylpyrazol-1-yl)phenyl]carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[[4-(4-bromanylpyrazol-1-yl)phenyl]carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[[4-(4-bromo-1-pyrazolyl)phenyl]-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C22H22BrN3O5 MolecularWeight: 488.33118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br)OC

InChI

InChI=1S/C22H22BrN3O5/c1-29-19-9-6-15(10-20(19)30-2)18(11-21(27)31-3)25-22(28)14-4-7-17(8-5-14)26-13-16(23)12-24-26/h4-10,12-13,18H,11H2,1-3H3,(H,25,28)