[2-(1,3-benzoxazol-2-yl)-4-[(3-propoxyphenyl)carbonylamino]phenyl] 3-propoxybenzoate

Systemtic Name: [2-(1,3-benzoxazol-2-yl)-4-[(3-propoxyphenyl)carbonylamino]phenyl] 3-propoxybenzoate Openeye Name: [2-(1,3-benzoxazol-2-yl)-4-[(3-propoxybenzoyl)amino]phenyl] 3-propoxybenzoate CAS Name: 3-propoxybenzoic acid [2-(1,3-benzoxazol-2-yl)-4-[[oxo-(3-propoxyphenyl)methyl]amino]phenyl] ester IUPAC Name: [2-(1,3-benzoxazol-2-yl)-4-[(3-propoxybenzoyl)amino]phenyl] 3-propoxybenzoate Traditional Name: 3-propoxybenzoic acid [2-(1,3-benzoxazol-2-yl)-4-[(3-propoxybenzoyl)amino]phenyl] ester Formula: C33H30N2O6 MolecularWeight: 550.6011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)OCCC)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)OCCC)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C33H30N2O6/c1-3-17-38-25-11-7-9-22(19-25)31(36)34-24-15-16-29(27(21-24)32-35-28-13-5-6-14-30(28)40-32)41-33(37)23-10-8-12-26(20-23)39-18-4-2/h5-16,19-21H,3-4,17-18H2,1-2H3,(H,34,36)