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

Systemtic Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(2-cyclopropylethanoyl)amino]methyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(2-cyclopropylacetyl)amino]methyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(2-cyclopropyl-1-oxoethyl)amino]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(2-cyclopropylacetyl)amino]methyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(2-cyclopropylacetyl)amino]methyl]-2-quinolyl]benzoic acid Formula: C29H30N2O5 MolecularWeight: 486.5589

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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)CC5CC5)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)CC5CC5)C(=O)O

InChI

InChI=1S/C29H30N2O5/c32-26(16-19-7-8-19)31(18-29(28(35)36)13-3-4-14-29)17-20-9-11-24-21(15-20)10-12-25(30-24)22-5-1-2-6-23(22)27(33)34/h1-2,5-6,9-12,15,19H,3-4,7-8,13-14,16-18H2,(H,33,34)(H,35,36)