(3,3-dimethyl-2-oxidanylidene-butyl) (3E)-3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (3E)-3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: (3E)-3-(phenylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: (3E)-3-benzal-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C2CCC(=CC3=CC=CC=C3)C2=NC4=CC=CC=C41

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C2CC/C(=C\C3=CC=CC=C3)/C2=NC4=CC=CC=C41

InChI

InChI=1S/C26H25NO3/c1-26(2,3)22(28)16-30-25(29)23-19-11-7-8-12-21(19)27-24-18(13-14-20(23)24)15-17-9-5-4-6-10-17/h4-12,15H,13-14,16H2,1-3H3/b18-15+