6,7-dimethoxy-1-(1,2,3,4-tetrahydrophenanthren-9-ylcarbonyl)isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-(1,2,3,4-tetrahydrophenanthren-9-ylcarbonyl)isoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-1-(1,2,3,4-tetrahydrophenanthrene-9-carbonyl)isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[oxo(1,2,3,4-tetrahydrophenanthren-9-yl)methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-(1,2,3,4-tetrahydrophenanthrene-9-carbonyl)isoquinoline-4-carboxylic acid Traditional Name: 6,7-dimethoxy-1-(1,2,3,4-tetrahydrophenanthrene-9-carbonyl)isoquinoline-4-carboxylic acid Formula: C27H23NO5 MolecularWeight: 441.47522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC4=C(CCCC4)C5=CC=CC=C53)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC4=C(CCCC4)C5=CC=CC=C53)C(=O)O)OC

InChI

InChI=1S/C27H23NO5/c1-32-23-12-19-20(13-24(23)33-2)25(28-14-22(19)27(30)31)26(29)21-11-15-7-3-4-8-16(15)17-9-5-6-10-18(17)21/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,30,31)