3-(4-methoxyphenyl)propyl 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-7-methoxy-1-benzofuran-3-carboxylate

Systemtic Name: 3-(4-methoxyphenyl)propyl 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-7-methoxy-1-benzofuran-3-carboxylate Openeye Name: 3-(4-methoxyphenyl)propyl 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-oxo-propyl]-7-methoxy-benzofuran-3-carboxylate CAS Name: 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-oxopropyl]-7-methoxy-3-benzofurancarboxylic acid 3-(4-methoxyphenyl)propyl ester IUPAC Name: 3-(4-methoxyphenyl)propyl 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-oxopropyl]-7-methoxy-1-benzofuran-3-carboxylate Traditional Name: 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-keto-propyl]-7-methoxy-benzofuran-3-carboxylic acid 3-(4-methoxyphenyl)propyl ester Formula: C29H34N2O7 MolecularWeight: 522.58946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCOC(=O)C2=C(OC3=C(C=C(C=C23)CCC(=O)NCCO)OC)CCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)CCCOC(=O)C2=C(OC3=C(C=C(C=C23)CCC(=O)NCCO)OC)CCCC#N

InChI

InChI=1S/C29H34N2O7/c1-35-22-11-8-20(9-12-22)6-5-17-37-29(34)27-23-18-21(10-13-26(33)31-15-16-32)19-25(36-2)28(23)38-24(27)7-3-4-14-30/h8-9,11-12,18-19,32H,3-7,10,13,15-17H2,1-2H3,(H,31,33)