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

Systemtic Name: 2-[6-[[2-[(butanoylamino)methyl]-2-carboxyoxy-cyclopentyl]methyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[2-[(butanoylamino)methyl]-2-carboxyoxy-cyclopentyl]methyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[2-carboxyoxy-2-[(1-oxobutylamino)methyl]cyclopentyl]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[2-[(butanoylamino)methyl]-2-carboxyoxycyclopentyl]methyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[2-(butyramidomethyl)-2-carboxyoxy-cyclopentyl]methyl]-2-quinolyl]benzoic acid Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O6/c1-2-6-25(31)29-17-28(36-27(34)35)14-5-7-20(28)16-18-10-12-23-19(15-18)11-13-24(30-23)21-8-3-4-9-22(21)26(32)33/h3-4,8-13,15,20H,2,5-7,14,16-17H2,1H3,(H,29,31)(H,32,33)(H,34,35)