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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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