[2-(5,6-dipropoxy-4H-chromen-3-yl)phenyl] pyridine-3-carboxylate

Systemtic Name: [2-(5,6-dipropoxy-4H-chromen-3-yl)phenyl] pyridine-3-carboxylate Openeye Name: [2-(5,6-dipropoxy-4H-chromen-3-yl)phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(5,6-dipropoxy-4H-1-benzopyran-3-yl)phenyl] ester IUPAC Name: [2-(5,6-dipropoxy-4H-chromen-3-yl)phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(5,6-dipropoxy-4H-chromen-3-yl)phenyl] ester Formula: C27H27NO5 MolecularWeight: 445.50698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C1)OC=C(C2)C3=CC=CC=C3OC(=O)C4=CN=CC=C4)OCCC

Isomeric SMILES

CCCOC1=C(C2=C(C=C1)OC=C(C2)C3=CC=CC=C3OC(=O)C4=CN=CC=C4)OCCC

InChI

InChI=1S/C27H27NO5/c1-3-14-30-25-12-11-23-22(26(25)31-15-4-2)16-20(18-32-23)21-9-5-6-10-24(21)33-27(29)19-8-7-13-28-17-19/h5-13,17-18H,3-4,14-16H2,1-2H3