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

Systemtic Name: methyl 6-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[(1-homoveratrylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)C3CC=CCC3C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)C3CC=CCC3C(=O)OC)OC

InChI

InChI=1S/C22H27N3O5/c1-28-19-9-8-15(12-20(19)29-2)10-11-25-14-16(13-23-25)24-21(26)17-6-4-5-7-18(17)22(27)30-3/h4-5,8-9,12-14,17-18H,6-7,10-11H2,1-3H3,(H,24,26)