2-[[2-(2-naphthalen-1-ylpropanoylamino)-4-(pyridin-3-yloxymethyl)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-(2-naphthalen-1-ylpropanoylamino)-4-(pyridin-3-yloxymethyl)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[2-(1-naphthyl)propanoylamino]-4-(3-pyridyloxymethyl)phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]-4-(3-pyridinyloxymethyl)phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-(2-naphthalen-1-ylpropanoylamino)-4-(pyridin-3-yloxymethyl)phenyl]methyl]benzoic acid Traditional Name: 2-[2-[2-(1-naphthyl)propanoylamino]-4-(3-pyridyloxymethyl)benzyl]benzoic acid Formula: C33H28N2O4 MolecularWeight: 516.58642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CN=CC=C4)CC5=CC=CC=C5C(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CN=CC=C4)CC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C33H28N2O4/c1-22(28-14-6-10-24-8-2-4-12-29(24)28)32(36)35-31-18-23(21-39-27-11-7-17-34-20-27)15-16-26(31)19-25-9-3-5-13-30(25)33(37)38/h2-18,20,22H,19,21H2,1H3,(H,35,36)(H,37,38)