2-[6-[[2-carboxyoxy-2-[(propanoylamino)methyl]cyclopentyl]methyl]quinolin-2-yl]benzoic acid

Systemtic Name: 2-[6-[[2-carboxyoxy-2-[(propanoylamino)methyl]cyclopentyl]methyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[2-carboxyoxy-2-[(propanoylamino)methyl]cyclopentyl]methyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[2-carboxyoxy-2-[(1-oxopropylamino)methyl]cyclopentyl]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[2-carboxyoxy-2-[(propanoylamino)methyl]cyclopentyl]methyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[2-carboxyoxy-2-(propionamidomethyl)cyclopentyl]methyl]-2-quinolyl]benzoic acid Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1(CCCC1CC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4C(=O)O)OC(=O)O

Isomeric SMILES

CCC(=O)NCC1(CCCC1CC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4C(=O)O)OC(=O)O

InChI

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