methyl 5-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: methyl 5-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]cyclohexa-1,5-diene-1-carboxylate Openeye Name: methyl 5-[1-(3-quinolylmethyl)pyrrol-2-yl]cyclohexa-1,5-diene-1-carboxylate CAS Name: 5-[1-(3-quinolinylmethyl)-2-pyrrolyl]-1-cyclohexa-1,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 5-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]cyclohexa-1,5-diene-1-carboxylate Traditional Name: 5-[1-(3-quinolylmethyl)pyrrol-2-yl]cyclohexa-1,5-diene-1-carboxylic acid methyl ester Formula: C22H20N2O2 MolecularWeight: 344.4064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCCC(=C1)C2=CC=CN2CC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

COC(=O)C1=CCCC(=C1)C2=CC=CN2CC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H20N2O2/c1-26-22(25)19-8-4-7-18(13-19)21-10-5-11-24(21)15-16-12-17-6-2-3-9-20(17)23-14-16/h2-3,5-6,8-14H,4,7,15H2,1H3