tert-butyl 5-[3-[[2-(4-methylphenyl)carbonylpyrrol-1-yl]methyl]quinolin-5-yl]pent-4-ynoate

Systemtic Name: tert-butyl 5-[3-[[2-(4-methylphenyl)carbonylpyrrol-1-yl]methyl]quinolin-5-yl]pent-4-ynoate Openeye Name: tert-butyl 5-[3-[[2-(4-methylbenzoyl)pyrrol-1-yl]methyl]-5-quinolyl]pent-4-ynoate CAS Name: 5-[3-[[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]methyl]-5-quinolinyl]-4-pentynoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[3-[[2-(4-methylbenzoyl)pyrrol-1-yl]methyl]quinolin-5-yl]pent-4-ynoate Traditional Name: 5-[3-[(2-p-toluoylpyrrol-1-yl)methyl]-5-quinolyl]pent-4-ynoic acid tert-butyl ester Formula: C31H30N2O3 MolecularWeight: 478.5815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC3=CC4=C(C=CC=C4N=C3)C#CCCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC3=CC4=C(C=CC=C4N=C3)C#CCCC(=O)OC(C)(C)C

InChI

InChI=1S/C31H30N2O3/c1-22-14-16-25(17-15-22)30(35)28-12-8-18-33(28)21-23-19-26-24(10-7-11-27(26)32-20-23)9-5-6-13-29(34)36-31(2,3)4/h7-8,10-12,14-20H,6,13,21H2,1-4H3