2-[[2-(2-naphthalen-1-ylethanoylamino)-4-(phenoxymethyl)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-(2-naphthalen-1-ylethanoylamino)-4-(phenoxymethyl)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[[2-(1-naphthyl)acetyl]amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-[(2-naphthalen-1-ylacetyl)amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid Traditional Name: 2-[2-[[2-(1-naphthyl)acetyl]amino]-4-(phenoxymethyl)benzyl]benzoic acid Formula: C33H27NO4 MolecularWeight: 501.57178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC(=C(C=C2)CC3=CC=CC=C3C(=O)O)NC(=O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC(=C(C=C2)CC3=CC=CC=C3C(=O)O)NC(=O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C33H27NO4/c35-32(21-26-12-8-11-24-9-4-6-15-29(24)26)34-31-19-23(22-38-28-13-2-1-3-14-28)17-18-27(31)20-25-10-5-7-16-30(25)33(36)37/h1-19H,20-22H2,(H,34,35)(H,36,37)