6-bromanyl-1-oxidanylidene-4-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-tetralin-1-yl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-tetralin-1-yl-isoquinoline-3-carboxylic acid Formula: C26H20BrNO3 MolecularWeight: 474.3459

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)N3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)N3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H20BrNO3/c27-18-13-14-20-21(15-18)23(17-8-2-1-3-9-17)24(26(30)31)28(25(20)29)22-12-6-10-16-7-4-5-11-19(16)22/h1-5,7-9,11,13-15,22H,6,10,12H2,(H,30,31)