8,9-dimethoxy-2-(pyridin-3-ylmethylcarbamoyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid

Systemtic Name: 8,9-dimethoxy-2-(pyridin-3-ylmethylcarbamoyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid Openeye Name: 8,9-dimethoxy-2-(3-pyridylmethylcarbamoyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid CAS Name: 8,9-dimethoxy-2-[oxo-(3-pyridinylmethylamino)methyl]-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid IUPAC Name: 8,9-dimethoxy-2-(pyridin-3-ylmethylcarbamoyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid Traditional Name: 8,9-dimethoxy-2-(3-pyridylmethylcarbamoyl)-5,6-dihydropyrrol[2,1-a]isoquinoline-3-carboxylic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=C3C(=O)O)C(=O)NCC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=C3C(=O)O)C(=O)NCC4=CN=CC=C4)OC

InChI

InChI=1S/C22H21N3O5/c1-29-18-8-14-5-7-25-17(15(14)10-19(18)30-2)9-16(20(25)22(27)28)21(26)24-12-13-4-3-6-23-11-13/h3-4,6,8-11H,5,7,12H2,1-2H3,(H,24,26)(H,27,28)