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

Systemtic Name: (1Z)-1-(2-cyclohexyl-2-oxidanylidene-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid Openeye Name: (1Z)-1-(2-cyclohexyl-2-oxo-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid CAS Name: (1Z)-1-(2-cyclohexyl-2-oxoethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid IUPAC Name: (1Z)-1-(2-cyclohexyl-2-oxoethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid Traditional Name: (1Z)-1-(2-cyclohexyl-2-keto-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-20(2)12-15-10-14(19(23)24)8-9-16(15)17(21-20)11-18(22)13-6-4-3-5-7-13/h8-11,13,21H,3-7,12H2,1-2H3,(H,23,24)/b17-11-