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

Systemtic Name: 2-[[2-(2-naphthalen-1-ylpropanoylamino)-4-(phenoxymethyl)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[2-(1-naphthyl)propanoylamino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-(2-naphthalen-1-ylpropanoylamino)-4-(phenoxymethyl)phenyl]methyl]benzoic acid Traditional Name: 2-[2-[2-(1-naphthyl)propanoylamino]-4-(phenoxymethyl)benzyl]benzoic acid Formula: C34H29NO4 MolecularWeight: 515.59836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H29NO4/c1-23(29-17-9-12-25-10-5-7-15-30(25)29)33(36)35-32-20-24(22-39-28-13-3-2-4-14-28)18-19-27(32)21-26-11-6-8-16-31(26)34(37)38/h2-20,23H,21-22H2,1H3,(H,35,36)(H,37,38)