3-propyl-5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-2H-1,3-benzoxazole-2-carboxylate

Systemtic Name: 3-propyl-5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-2H-1,3-benzoxazole-2-carboxylate Openeye Name: 3-propyl-5-[[3-(2-quinolylmethoxy)phenyl]methoxy]-2H-1,3-benzoxazole-2-carboxylate CAS Name: 3-propyl-5-[[3-(2-quinolinylmethoxy)phenyl]methoxy]-2H-1,3-benzoxazole-2-carboxylate IUPAC Name: 3-propyl-5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-2H-1,3-benzoxazole-2-carboxylate Traditional Name: 3-propyl-5-[3-(2-quinolylmethoxy)benzyl]oxy-2H-1,3-benzoxazole-2-carboxylate Formula: C28H25N2O5- MolecularWeight: 469.5085

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(OC2=C1C=C(C=C2)OCC3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)[O-]

Isomeric SMILES

CCCN1C(OC2=C1C=C(C=C2)OCC3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)[O-]

InChI

InChI=1S/C28H26N2O5/c1-2-14-30-25-16-23(12-13-26(25)35-27(30)28(31)32)33-17-19-6-5-8-22(15-19)34-18-21-11-10-20-7-3-4-9-24(20)29-21/h3-13,15-16,27H,2,14,17-18H2,1H3,(H,31,32)/p-1