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

Systemtic Name: 2-[6-[[(1-carboxycyclopentyl)methyl-hexanoyl-amino]methyl]naphthalen-2-yl]benzoic acid Openeye Name: 2-[6-[[(1-carboxycyclopentyl)methyl-hexanoyl-amino]methyl]-2-naphthyl]benzoic acid CAS Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(1-oxohexyl)amino]methyl]-2-naphthalenyl]benzoic acid IUPAC Name: 2-[6-[[(1-carboxycyclopentyl)methyl-hexanoylamino]methyl]naphthalen-2-yl]benzoic acid Traditional Name: 2-[6-[[caproyl-[(1-carboxycyclopentyl)methyl]amino]methyl]-2-naphthyl]benzoic acid Formula: C31H35NO5 MolecularWeight: 501.6133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35NO5/c1-2-3-4-11-28(33)32(21-31(30(36)37)16-7-8-17-31)20-22-12-13-24-19-25(15-14-23(24)18-22)26-9-5-6-10-27(26)29(34)35/h5-6,9-10,12-15,18-19H,2-4,7-8,11,16-17,20-21H2,1H3,(H,34,35)(H,36,37)