3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl 2-phenethylbenzoate

Systemtic Name: 3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl 2-phenethylbenzoate Openeye Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid 3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propyl ester IUPAC Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid 3-[(2-ketochromene-3-carbonyl)amino]propyl ester Formula: C28H25NO5 MolecularWeight: 455.5018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OCCCNC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OCCCNC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C28H25NO5/c30-26(24-19-22-12-5-7-14-25(22)34-28(24)32)29-17-8-18-33-27(31)23-13-6-4-11-21(23)16-15-20-9-2-1-3-10-20/h1-7,9-14,19H,8,15-18H2,(H,29,30)