2-[6-[2-[2-(aminomethyl)-2-carboxyoxy-cyclopentyl]carbonyloxybutyl]quinolin-2-yl]benzoic acid

Systemtic Name: 2-[6-[2-[2-(aminomethyl)-2-carboxyoxy-cyclopentyl]carbonyloxybutyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[2-[2-(aminomethyl)-2-carboxyoxy-cyclopentanecarbonyl]oxybutyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[2-[[2-(aminomethyl)-2-carboxyoxycyclopentyl]-oxomethoxy]butyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[2-[2-(aminomethyl)-2-carboxyoxycyclopentanecarbonyl]oxybutyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[2-[2-(aminomethyl)-2-carboxyoxy-cyclopentanecarbonyl]oxybutyl]-2-quinolyl]benzoic acid Formula: C28H30N2O7 MolecularWeight: 506.547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C(=O)O)OC(=O)C4CCCC4(CN)OC(=O)O

Isomeric SMILES

CCC(CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C(=O)O)OC(=O)C4CCCC4(CN)OC(=O)O

InChI

InChI=1S/C28H30N2O7/c1-2-19(36-26(33)22-8-5-13-28(22,16-29)37-27(34)35)15-17-9-11-23-18(14-17)10-12-24(30-23)20-6-3-4-7-21(20)25(31)32/h3-4,6-7,9-12,14,19,22H,2,5,8,13,15-16,29H2,1H3,(H,31,32)(H,34,35)