[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H26BrN3O5 MolecularWeight: 468.34154

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)NC2=CC=NN2C(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C(=O)NC2=CC=NN2C(C)C)OC

InChI

InChI=1S/C20H26BrN3O5/c1-6-9-28-18-15(21)10-14(11-16(18)27-5)20(26)29-13(4)19(25)23-17-7-8-22-24(17)12(2)3/h7-8,10-13H,6,9H2,1-5H3,(H,23,25)