(4-tert-butylphenyl)methyl 3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: 3-(phenylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: 3-benzal-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (4-tert-butylbenzyl) ester Formula: C31H29NO2 MolecularWeight: 447.56746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C3CCC(=CC4=CC=CC=C4)C3=NC5=CC=CC=C52

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C3CCC(=CC4=CC=CC=C4)C3=NC5=CC=CC=C52

InChI

InChI=1S/C31H29NO2/c1-31(2,3)24-16-13-22(14-17-24)20-34-30(33)28-25-11-7-8-12-27(25)32-29-23(15-18-26(28)29)19-21-9-5-4-6-10-21/h4-14,16-17,19H,15,18,20H2,1-3H3