5-[3-[[2-(4-methylphenyl)carbonylpyrrol-1-yl]methyl]quinolin-5-yl]pent-4-ynoic acid

Systemtic Name: 5-[3-[[2-(4-methylphenyl)carbonylpyrrol-1-yl]methyl]quinolin-5-yl]pent-4-ynoic acid Openeye Name: 5-[3-[[2-(4-methylbenzoyl)pyrrol-1-yl]methyl]-5-quinolyl]pent-4-ynoic acid CAS Name: 5-[3-[[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]methyl]-5-quinolinyl]-4-pentynoic acid IUPAC Name: 5-[3-[[2-(4-methylbenzoyl)pyrrol-1-yl]methyl]quinolin-5-yl]pent-4-ynoic acid Traditional Name: 5-[3-[(2-p-toluoylpyrrol-1-yl)methyl]-5-quinolyl]pent-4-ynoic acid Formula: C27H22N2O3 MolecularWeight: 422.47518

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O3/c1-19-11-13-22(14-12-19)27(32)25-9-5-15-29(25)18-20-16-23-21(6-2-3-10-26(30)31)7-4-8-24(23)28-17-20/h4-5,7-9,11-17H,3,10,18H2,1H3,(H,30,31)