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

Systemtic Name: 2-[6-[[(1-carboxycyclopentyl)methyl-hexanoyl-amino]methyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[(1-carboxycyclopentyl)methyl-hexanoyl-amino]methyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(1-oxohexyl)amino]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[(1-carboxycyclopentyl)methyl-hexanoylamino]methyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[caproyl-[(1-carboxycyclopentyl)methyl]amino]methyl]-2-quinolyl]benzoic acid Formula: C30H34N2O5 MolecularWeight: 502.60136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C(=O)O)CC4(CCCC4)C(=O)O

Isomeric SMILES

CCCCCC(=O)N(CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C(=O)O)CC4(CCCC4)C(=O)O

InChI

InChI=1S/C30H34N2O5/c1-2-3-4-11-27(33)32(20-30(29(36)37)16-7-8-17-30)19-21-12-14-25-22(18-21)13-15-26(31-25)23-9-5-6-10-24(23)28(34)35/h5-6,9-10,12-15,18H,2-4,7-8,11,16-17,19-20H2,1H3,(H,34,35)(H,36,37)