4-(8,9-dimethoxy-2-oxidanyl-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid

Systemtic Name: 4-(8,9-dimethoxy-2-oxidanyl-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid Openeye Name: 4-(2-hydroxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid CAS Name: 4-(2-hydroxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid IUPAC Name: 4-(2-hydroxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid Traditional Name: 4-(2-hydroxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3CC(CCC3N=C2C4=CC=C(C=C4)C(=O)O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3CC(CCC3N=C2C4=CC=C(C=C4)C(=O)O)O)OC

InChI

InChI=1S/C22H23NO5/c1-27-19-10-15-16-9-14(24)7-8-18(16)23-21(17(15)11-20(19)28-2)12-3-5-13(6-4-12)22(25)26/h3-6,10-11,14,16,18,24H,7-9H2,1-2H3,(H,25,26)