pent-4-ynyl 2-(3-cyanopropyl)-7-methoxy-5-[3-(2-methoxyethylamino)-3-oxidanylidene-propyl]-1-benzofuran-3-carboxylate

Systemtic Name: pent-4-ynyl 2-(3-cyanopropyl)-7-methoxy-5-[3-(2-methoxyethylamino)-3-oxidanylidene-propyl]-1-benzofuran-3-carboxylate Openeye Name: pent-4-ynyl 2-(3-cyanopropyl)-7-methoxy-5-[3-(2-methoxyethylamino)-3-oxo-propyl]benzofuran-3-carboxylate CAS Name: 2-(3-cyanopropyl)-7-methoxy-5-[3-(2-methoxyethylamino)-3-oxopropyl]-3-benzofurancarboxylic acid pent-4-ynyl ester IUPAC Name: pent-4-ynyl 2-(3-cyanopropyl)-7-methoxy-5-[3-(2-methoxyethylamino)-3-oxopropyl]-1-benzofuran-3-carboxylate Traditional Name: 2-(3-cyanopropyl)-5-[3-keto-3-(2-methoxyethylamino)propyl]-7-methoxy-benzofuran-3-carboxylic acid pent-4-ynyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CCC1=CC(=C2C(=C1)C(=C(O2)CCCC#N)C(=O)OCCCC#C)OC

Isomeric SMILES

COCCNC(=O)CCC1=CC(=C2C(=C1)C(=C(O2)CCCC#N)C(=O)OCCCC#C)OC

InChI

InChI=1S/C25H30N2O6/c1-4-5-8-14-32-25(29)23-19-16-18(10-11-22(28)27-13-15-30-2)17-21(31-3)24(19)33-20(23)9-6-7-12-26/h1,16-17H,5-11,13-15H2,2-3H3,(H,27,28)