[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-butoxybenzoate

Systemtic Name: [1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-butoxybenzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=NN2C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=NN2C(C)C

InChI

InChI=1S/C20H27N3O4/c1-5-6-13-26-17-9-7-16(8-10-17)20(25)27-15(4)19(24)22-18-11-12-21-23(18)14(2)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,22,24)