(1S,6S)-6-[[3-chloranyl-4-(cyclohexylcarbonylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[3-chloranyl-4-(cyclohexylcarbonylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[3-chloro-4-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[3-chloro-4-[[cyclohexyl(oxo)methyl]amino]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[3-chloro-4-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[3-chloro-4-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H24ClN2O4- MolecularWeight: 403.87926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CC=CCC3C(=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=C(C=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])Cl

InChI

InChI=1S/C21H25ClN2O4/c22-17-12-14(23-20(26)15-8-4-5-9-16(15)21(27)28)10-11-18(17)24-19(25)13-6-2-1-3-7-13/h4-5,10-13,15-16H,1-3,6-9H2,(H,23,26)(H,24,25)(H,27,28)/p-1/t15-,16-/m0/s1