4-[[3-(ethoxymethyl)-4-methoxy-phenyl]methylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: 4-[[3-(ethoxymethyl)-4-methoxy-phenyl]methylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: 4-[[3-(ethoxymethyl)-4-methoxy-phenyl]methylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[3-(ethoxymethyl)-4-methoxyphenyl]methylamino]-1-ethyl-3-pyrazolecarboxylate IUPAC Name: 4-[[3-(ethoxymethyl)-4-methoxyphenyl]methylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[3-(ethoxymethyl)-4-methoxy-benzyl]amino]-1-ethyl-pyrazole-3-carboxylate Formula: C17H22N3O4- MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)[O-])NCC2=CC(=C(C=C2)OC)COCC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)[O-])NCC2=CC(=C(C=C2)OC)COCC

InChI

InChI=1S/C17H23N3O4/c1-4-20-10-14(16(19-20)17(21)22)18-9-12-6-7-15(23-3)13(8-12)11-24-5-2/h6-8,10,18H,4-5,9,11H2,1-3H3,(H,21,22)/p-1