(1Z)-6-chloranyl-1-(2-cyclohexyl-2-oxidanylidene-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid

Systemtic Name: (1Z)-6-chloranyl-1-(2-cyclohexyl-2-oxidanylidene-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Openeye Name: (1Z)-6-chloro-1-(2-cyclohexyl-2-oxo-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid CAS Name: (1Z)-6-chloro-1-(2-cyclohexyl-2-oxoethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid IUPAC Name: (1Z)-6-chloro-1-(2-cyclohexyl-2-oxoethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Traditional Name: (1Z)-6-chloro-1-(2-cyclohexyl-2-keto-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=CC(=O)C3CCCCC3)N1)C(=O)O)Cl)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2/C(=C/C(=O)C3CCCCC3)/N1)C(=O)O)Cl)C

InChI

InChI=1S/C20H24ClNO3/c1-20(2)11-13-8-16(21)15(19(24)25)9-14(13)17(22-20)10-18(23)12-6-4-3-5-7-12/h8-10,12,22H,3-7,11H2,1-2H3,(H,24,25)/b17-10-