[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=NN2C3CCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=NN2C3CCCC3)OCC

InChI

InChI=1S/C21H27N3O5/c1-3-27-17-10-9-15(13-18(17)28-4-2)21(26)29-14-20(25)23-19-11-12-22-24(19)16-7-5-6-8-16/h9-13,16H,3-8,14H2,1-2H3,(H,23,25)