5-[(2R,4aR,10bR)-9-ethoxy-8-methoxy-2-oxidanyl-1,2,4a,10b-tetrahydrophenanthridin-6-yl]pyridine-2-carboxylic acid

Systemtic Name: 5-[(2R,4aR,10bR)-9-ethoxy-8-methoxy-2-oxidanyl-1,2,4a,10b-tetrahydrophenanthridin-6-yl]pyridine-2-carboxylic acid Openeye Name: 5-[(2R,4aR,10bR)-9-ethoxy-2-hydroxy-8-methoxy-1,2,4a,10b-tetrahydrophenanthridin-6-yl]pyridine-2-carboxylic acid CAS Name: 5-[(2R,4aR,10bR)-9-ethoxy-2-hydroxy-8-methoxy-1,2,4a,10b-tetrahydrophenanthridin-6-yl]-2-pyridinecarboxylic acid IUPAC Name: 5-[(2R,4aR,10bR)-9-ethoxy-2-hydroxy-8-methoxy-1,2,4a,10b-tetrahydrophenanthridin-6-yl]pyridine-2-carboxylic acid Traditional Name: 5-[(2R,4aR,10bR)-9-ethoxy-2-hydroxy-8-methoxy-1,2,4a,10b-tetrahydrophenanthridin-6-yl]picolinic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C3CC(C=CC3N=C2C4=CN=C(C=C4)C(=O)O)O)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)[C@H]3C[C@H](C=C[C@H]3N=C2C4=CN=C(C=C4)C(=O)O)O)OC

InChI

InChI=1S/C22H22N2O5/c1-3-29-20-9-14-15-8-13(25)5-7-17(15)24-21(16(14)10-19(20)28-2)12-4-6-18(22(26)27)23-11-12/h4-7,9-11,13,15,17,25H,3,8H2,1-2H3,(H,26,27)/t13-,15+,17+/m0/s1