(1S,6R)-6-[[4-(1-benzofuran-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[[4-(1-benzofuran-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[4-(benzofuran-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[4-(2-benzofuranyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[[4-(1-benzofuran-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[[4-(benzofuran-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=C(C=C2)C3=CC4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C3=CC4=CC=CC=C4O3)C(=O)O

InChI

InChI=1S/C22H19NO4/c24-21(17-6-2-3-7-18(17)22(25)26)23-16-11-9-14(10-12-16)20-13-15-5-1-4-8-19(15)27-20/h1-5,8-13,17-18H,6-7H2,(H,23,24)(H,25,26)/t17-,18+/m1/s1