6-bromanyl-2-(cyclopropylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-(cyclopropylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-(cyclopropylmethyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-(cyclopropylmethyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-(cyclopropylmethyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(cyclopropylmethyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C20H16BrNO3 MolecularWeight: 398.24994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC1CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H16BrNO3/c21-14-8-9-15-16(10-14)17(13-4-2-1-3-5-13)18(20(24)25)22(19(15)23)11-12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,24,25)