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

Systemtic Name: 2-[6-[[2-carboxyoxy-2-[(hexanoylamino)methyl]cyclopentyl]methyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[2-carboxyoxy-2-[(hexanoylamino)methyl]cyclopentyl]methyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[2-carboxyoxy-2-[(1-oxohexylamino)methyl]cyclopentyl]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[2-carboxyoxy-2-[(hexanoylamino)methyl]cyclopentyl]methyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[2-[(caproylamino)methyl]-2-carboxyoxy-cyclopentyl]methyl]-2-quinolyl]benzoic acid Formula: C30H34N2O6 MolecularWeight: 518.60076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O6/c1-2-3-4-11-27(33)31-19-30(38-29(36)37)16-7-8-22(30)18-20-12-14-25-21(17-20)13-15-26(32-25)23-9-5-6-10-24(23)28(34)35/h5-6,9-10,12-15,17,22H,2-4,7-8,11,16,18-19H2,1H3,(H,31,33)(H,34,35)(H,36,37)