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

Systemtic Name: 2-[6-[[(1-carboxycyclopentyl)methyl-cyclopropylcarbonyl-amino]methyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(cyclopropanecarbonyl)amino]methyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[(1-carboxycyclopentyl)methyl-[cyclopropyl(oxo)methyl]amino]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(cyclopropanecarbonyl)amino]methyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(cyclopropanecarbonyl)amino]methyl]-2-quinolyl]benzoic acid Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CN(CC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)C5CC5)C(=O)O

Isomeric SMILES

C1CCC(C1)(CN(CC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)C5CC5)C(=O)O

InChI

InChI=1S/C28H28N2O5/c31-25(19-8-9-19)30(17-28(27(34)35)13-3-4-14-28)16-18-7-11-23-20(15-18)10-12-24(29-23)21-5-1-2-6-22(21)26(32)33/h1-2,5-7,10-12,15,19H,3-4,8-9,13-14,16-17H2,(H,32,33)(H,34,35)