[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-hexoxy-3-methoxy-benzoate

Systemtic Name: [2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-hexoxy-3-methoxy-benzoate Openeye Name: [2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxo-ethyl] 4-hexoxy-3-methoxy-benzoate CAS Name: 4-hexoxy-3-methoxybenzoic acid [2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl] 4-hexoxy-3-methoxybenzoate Traditional Name: 4-hexoxy-3-methoxy-benzoic acid [2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(NN=C2C)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(NN=C2C)C)OC

InChI

InChI=1S/C21H29N3O5/c1-5-6-7-8-11-28-17-10-9-16(12-18(17)27-4)21(26)29-13-19(25)22-20-14(2)23-24-15(20)3/h9-10,12H,5-8,11,13H2,1-4H3,(H,22,25)(H,23,24)