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

Systemtic Name: 2-[6-[[(1-carboxycyclopentyl)methyl-ethoxycarbonyl-amino]methyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[(1-carboxycyclopentyl)methyl-ethoxycarbonyl-amino]methyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[(1-carboxycyclopentyl)methyl-ethoxycarbonylamino]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[(1-carboxycyclopentyl)methyl-ethoxycarbonylamino]methyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[carbethoxy-[(1-carboxycyclopentyl)methyl]amino]methyl]-2-quinolyl]benzoic acid Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C27H28N2O6/c1-2-35-26(34)29(17-27(25(32)33)13-5-6-14-27)16-18-9-11-22-19(15-18)10-12-23(28-22)20-7-3-4-8-21(20)24(30)31/h3-4,7-12,15H,2,5-6,13-14,16-17H2,1H3,(H,30,31)(H,32,33)