(1R,6S)-3,4-dimethyl-6-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-3,4-dimethyl-6-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-3,4-dimethyl-6-[[4-(3-pyridylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-[4-[oxo-(3-pyridinylmethylamino)methyl]anilino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-3,4-dimethyl-6-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-3,4-dimethyl-6-[[4-(3-pyridylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C23H24N3O4- MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C23H25N3O4/c1-14-10-19(20(23(29)30)11-15(14)2)22(28)26-18-7-5-17(6-8-18)21(27)25-13-16-4-3-9-24-12-16/h3-9,12,19-20H,10-11,13H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)/p-1/t19-,20+/m0/s1