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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCN(CCCCOC2=C(C=CC3=CC=CC=C32)C(=O)O)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)OCCCN(CCCCOC2=C(C=CC3=CC=CC=C32)C(=O)O)C4=NC5=CC=CC=C5O4

InChI

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