(4-tert-butylphenyl)methyl 3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 3-(1,3-benzodioxol-5-ylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: 3-piperonylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (4-tert-butylbenzyl) ester Formula: C32H29NO4 MolecularWeight: 491.57696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C3CCC(=CC4=CC5=C(C=C4)OCO5)C3=NC6=CC=CC=C62

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C3CCC(=CC4=CC5=C(C=C4)OCO5)C3=NC6=CC=CC=C62

InChI

InChI=1S/C32H29NO4/c1-32(2,3)23-12-8-20(9-13-23)18-35-31(34)29-24-6-4-5-7-26(24)33-30-22(11-14-25(29)30)16-21-10-15-27-28(17-21)37-19-36-27/h4-10,12-13,15-17H,11,14,18-19H2,1-3H3