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

Systemtic Name: 2-[6-[[(1-carboxycyclopentyl)methyl-ethoxycarbonyl-amino]methyl]naphthalen-2-yl]benzoic acid Openeye Name: 2-[6-[[(1-carboxycyclopentyl)methyl-ethoxycarbonyl-amino]methyl]-2-naphthyl]benzoic acid CAS Name: 2-[6-[[(1-carboxycyclopentyl)methyl-ethoxycarbonylamino]methyl]-2-naphthalenyl]benzoic acid IUPAC Name: 2-[6-[[(1-carboxycyclopentyl)methyl-ethoxycarbonylamino]methyl]naphthalen-2-yl]benzoic acid Traditional Name: 2-[6-[[carbethoxy-[(1-carboxycyclopentyl)methyl]amino]methyl]-2-naphthyl]benzoic acid Formula: C28H29NO6 MolecularWeight: 475.53296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C28H29NO6/c1-2-35-27(34)29(18-28(26(32)33)13-5-6-14-28)17-19-9-10-21-16-22(12-11-20(21)15-19)23-7-3-4-8-24(23)25(30)31/h3-4,7-12,15-16H,2,5-6,13-14,17-18H2,1H3,(H,30,31)(H,32,33)