4-[[[5-(phenoxymethyl)naphthalen-2-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[5-(phenoxymethyl)naphthalen-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[5-(phenoxymethyl)-2-naphthyl]amino]methyl]benzoic acid CAS Name: 4-[[[5-(phenoxymethyl)-2-naphthalenyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[5-(phenoxymethyl)naphthalen-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[5-(phenoxymethyl)-2-naphthyl]amino]methyl]benzoic acid Formula: C25H21NO3 MolecularWeight: 383.43914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=CC3=C2C=CC(=C3)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=CC3=C2C=CC(=C3)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H21NO3/c27-25(28)19-11-9-18(10-12-19)16-26-22-13-14-24-20(15-22)5-4-6-21(24)17-29-23-7-2-1-3-8-23/h1-15,26H,16-17H2,(H,27,28)