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

Systemtic Name: 4-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid Openeye Name: 4-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid CAS Name: 4-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid IUPAC Name: 4-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid Traditional Name: 4-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid Formula: C22H23NO4 MolecularWeight: 365.42232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3CCCCC3N=C2C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3CCCCC3N=C2C4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C22H23NO4/c1-26-19-11-16-15-5-3-4-6-18(15)23-21(17(16)12-20(19)27-2)13-7-9-14(10-8-13)22(24)25/h7-12,15,18H,3-6H2,1-2H3,(H,24,25)