(1S,6R)-6-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[4-(2-pyridylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[oxo-[4-[oxo-(2-pyridinylamino)methyl]anilino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[4-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[4-(2-pyridylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H18N3O4- MolecularWeight: 364.37462

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=N3)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=N3)C(=O)[O-]

InChI

InChI=1S/C20H19N3O4/c24-18(23-17-7-3-4-12-21-17)13-8-10-14(11-9-13)22-19(25)15-5-1-2-6-16(15)20(26)27/h1-4,7-12,15-16H,5-6H2,(H,22,25)(H,26,27)(H,21,23,24)/p-1/t15-,16+/m1/s1