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

Systemtic Name: (1Z)-6-chloranyl-1-(2-cycloheptyl-2-oxidanylidene-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Openeye Name: (1Z)-6-chloro-1-(2-cycloheptyl-2-oxo-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid CAS Name: (1Z)-6-chloro-1-(2-cycloheptyl-2-oxoethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid IUPAC Name: (1Z)-6-chloro-1-(2-cycloheptyl-2-oxoethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Traditional Name: (1Z)-6-chloro-1-(2-cycloheptyl-2-keto-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=CC(=O)C3CCCCCC3)N1)C(=O)O)Cl)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2/C(=C/C(=O)C3CCCCCC3)/N1)C(=O)O)Cl)C

InChI

InChI=1S/C21H26ClNO3/c1-21(2)12-14-9-17(22)16(20(25)26)10-15(14)18(23-21)11-19(24)13-7-5-3-4-6-8-13/h9-11,13,23H,3-8,12H2,1-2H3,(H,25,26)/b18-11-