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

Systemtic Name: 6-bromanyl-2-(cyclohexylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-(cyclohexylmethyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-(cyclohexylmethyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-(cyclohexylmethyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(cyclohexylmethyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H22BrNO3/c24-17-11-12-18-19(13-17)20(16-9-5-2-6-10-16)21(23(27)28)25(22(18)26)14-15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14H2,(H,27,28)