3-[4-[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]butoxy]naphthalene-2-carboxylic acid

Systemtic Name: 3-[4-[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]butoxy]naphthalene-2-carboxylic acid Openeye Name: 3-[4-[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]butoxy]naphthalene-2-carboxylic acid CAS Name: 3-[4-[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]butoxy]-2-naphthalenecarboxylic acid IUPAC Name: 3-[4-[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]butoxy]naphthalene-2-carboxylic acid Traditional Name: 3-[4-[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]butoxy]-2-naphthoic acid Formula: C31H30N2O5 MolecularWeight: 510.5803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCN(CCCCOC2=CC3=CC=CC=C3C=C2C(=O)O)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)OCCCN(CCCCOC2=CC3=CC=CC=C3C=C2C(=O)O)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C31H30N2O5/c34-30(35)26-21-23-11-4-5-12-24(23)22-29(26)37-19-9-8-17-33(18-10-20-36-25-13-2-1-3-14-25)31-32-27-15-6-7-16-28(27)38-31/h1-7,11-16,21-22H,8-10,17-20H2,(H,34,35)