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

Systemtic Name: 3-[4-[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]butoxy]naphthalene-2-carboxylic acid Openeye Name: 3-[4-[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]butoxy]naphthalene-2-carboxylic acid CAS Name: 3-[4-[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]butoxy]-2-naphthalenecarboxylic acid IUPAC Name: 3-[4-[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]butoxy]naphthalene-2-carboxylic acid Traditional Name: 3-[4-[1,3-benzoxazol-2-yl(3-phenylpropyl)amino]butoxy]-2-naphthoic acid Formula: C31H30N2O4 MolecularWeight: 494.5809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2O4/c34-30(35)26-21-24-14-4-5-15-25(24)22-29(26)36-20-9-8-18-33(19-10-13-23-11-2-1-3-12-23)31-32-27-16-6-7-17-28(27)37-31/h1-7,11-12,14-17,21-22H,8-10,13,18-20H2,(H,34,35)