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

Systemtic Name: 2-[6-[[(1-carboxycyclopentyl)methyl-cyclopropyloxycarbonyl-amino]methyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(cyclopropoxycarbonyl)amino]methyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[(1-carboxycyclopentyl)methyl-[cyclopropyloxy(oxo)methyl]amino]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[(1-carboxycyclopentyl)methyl-cyclopropyloxycarbonylamino]methyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(cyclopropoxycarbonyl)amino]methyl]-2-quinolyl]benzoic acid Formula: C28H28N2O6 MolecularWeight: 488.53172

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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)OC5CC5)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)OC5CC5)C(=O)O

InChI

InChI=1S/C28H28N2O6/c31-25(32)22-6-2-1-5-21(22)24-12-8-19-15-18(7-11-23(19)29-24)16-30(27(35)36-20-9-10-20)17-28(26(33)34)13-3-4-14-28/h1-2,5-8,11-12,15,20H,3-4,9-10,13-14,16-17H2,(H,31,32)(H,33,34)