methyl 6-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 6-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[[1-[(2,3-dimethoxyphenyl)methyl]-4-pyrazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6-[[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[(1-o-veratrylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2C=C(C=N2)NC(=O)C3CC=CCC3C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2C=C(C=N2)NC(=O)C3CC=CCC3C(=O)OC

InChI

InChI=1S/C21H25N3O5/c1-27-18-10-6-7-14(19(18)28-2)12-24-13-15(11-22-24)23-20(25)16-8-4-5-9-17(16)21(26)29-3/h4-7,10-11,13,16-17H,8-9,12H2,1-3H3,(H,23,25)