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

Systemtic Name: 1-[4-[1,3-benzoxazol-2-yl(octyl)amino]butoxy]naphthalene-2-carboxylic acid Openeye Name: 1-[4-[1,3-benzoxazol-2-yl(octyl)amino]butoxy]naphthalene-2-carboxylic acid CAS Name: 1-[4-[1,3-benzoxazol-2-yl(octyl)amino]butoxy]-2-naphthalenecarboxylic acid IUPAC Name: 1-[4-[1,3-benzoxazol-2-yl(octyl)amino]butoxy]naphthalene-2-carboxylic acid Traditional Name: 1-[4-[1,3-benzoxazol-2-yl(octyl)amino]butoxy]-2-naphthoic acid Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCOC1=C(C=CC2=CC=CC=C21)C(=O)O)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCCCCCCN(CCCCOC1=C(C=CC2=CC=CC=C21)C(=O)O)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C30H36N2O4/c1-2-3-4-5-6-11-20-32(30-31-26-16-9-10-17-27(26)36-30)21-12-13-22-35-28-24-15-8-7-14-23(24)18-19-25(28)29(33)34/h7-10,14-19H,2-6,11-13,20-22H2,1H3,(H,33,34)