(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate CAS Name: 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate Traditional Name: 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C26H29NO2 MolecularWeight: 387.51396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C3CCCC3=NC4=CC=CC=C42)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C3CCCC3=NC4=CC=CC=C42)C)C(C)(C)C

InChI

InChI=1S/C26H29NO2/c1-16-13-18(26(3,4)5)14-17(2)21(16)15-29-25(28)24-19-9-6-7-11-22(19)27-23-12-8-10-20(23)24/h6-7,9,11,13-14H,8,10,12,15H2,1-5H3