2-[6-[[butanoyl-[(1-carboxycyclopentyl)methyl]amino]methyl]quinolin-2-yl]benzoic acid

Systemtic Name: 2-[6-[[butanoyl-[(1-carboxycyclopentyl)methyl]amino]methyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[butanoyl-[(1-carboxycyclopentyl)methyl]amino]methyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(1-oxobutyl)amino]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[butanoyl-[(1-carboxycyclopentyl)methyl]amino]methyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[butyryl-[(1-carboxycyclopentyl)methyl]amino]methyl]-2-quinolyl]benzoic acid Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C(=O)O)CC4(CCCC4)C(=O)O

Isomeric SMILES

CCCC(=O)N(CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C(=O)O)CC4(CCCC4)C(=O)O

InChI

InChI=1S/C28H30N2O5/c1-2-7-25(31)30(18-28(27(34)35)14-5-6-15-28)17-19-10-12-23-20(16-19)11-13-24(29-23)21-8-3-4-9-22(21)26(32)33/h3-4,8-13,16H,2,5-7,14-15,17-18H2,1H3,(H,32,33)(H,34,35)