5,5-dimethyl-11-oxidanylidene-1-(phenylmethyl)-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid

Systemtic Name: 5,5-dimethyl-11-oxidanylidene-1-(phenylmethyl)-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid Openeye Name: 1-benzyl-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid CAS Name: 5,5-dimethyl-11-oxo-1-(phenylmethyl)-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid IUPAC Name: 1-benzyl-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid Traditional Name: 1-benzyl-11-keto-5,5-dimethyl-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C3=CC=CC(=C3C(=O)N2C4=C1C=CC=C4CC5=CC=CC=C5)C(=O)O)C

Isomeric SMILES

CC1(CC2C3=CC=CC(=C3C(=O)N2C4=C1C=CC=C4CC5=CC=CC=C5)C(=O)O)C

InChI

InChI=1S/C26H23NO3/c1-26(2)15-21-18-11-7-12-19(25(29)30)22(18)24(28)27(21)23-17(10-6-13-20(23)26)14-16-8-4-3-5-9-16/h3-13,21H,14-15H2,1-2H3,(H,29,30)