(1R,6S)-6-[[3-(furan-2-ylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[[3-(furan-2-ylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[3-(2-furylmethylcarbamoyl)-1-methyl-pyrazol-4-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[3-[(2-furanylmethylamino)-oxomethyl]-1-methyl-4-pyrazolyl]amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[3-(2-furfurylcarbamoyl)-1-methyl-pyrazol-4-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C20H23N4O5- MolecularWeight: 399.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CN(N=C2C(=O)NCC3=CC=CO3)C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2=CN(N=C2C(=O)NCC3=CC=CO3)C)C(=O)[O-])C

InChI

InChI=1S/C20H24N4O5/c1-11-7-14(15(20(27)28)8-12(11)2)18(25)22-16-10-24(3)23-17(16)19(26)21-9-13-5-4-6-29-13/h4-6,10,14-15H,7-9H2,1-3H3,(H,21,26)(H,22,25)(H,27,28)/p-1/t14-,15+/m0/s1