hex-5-enyl 2-(3-cyanopropyl)-7-methoxy-5-[3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]-3-oxidanylidene-propyl]-1-benzofuran-3-carboxylate

Systemtic Name: hex-5-enyl 2-(3-cyanopropyl)-7-methoxy-5-[3-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]-3-oxidanylidene-propyl]-1-benzofuran-3-carboxylate Openeye Name: hex-5-enyl 2-(3-cyanopropyl)-5-[3-[(5-hydroxy-1,5-dimethyl-hexyl)amino]-3-oxo-propyl]-7-methoxy-benzofuran-3-carboxylate CAS Name: 2-(3-cyanopropyl)-5-[3-[(6-hydroxy-6-methylheptan-2-yl)amino]-3-oxopropyl]-7-methoxy-3-benzofurancarboxylic acid hex-5-enyl ester IUPAC Name: hex-5-enyl 2-(3-cyanopropyl)-5-[3-[(6-hydroxy-6-methylheptan-2-yl)amino]-3-oxopropyl]-7-methoxy-1-benzofuran-3-carboxylate Traditional Name: 2-(3-cyanopropyl)-5-[3-[(5-hydroxy-1,5-dimethyl-hexyl)amino]-3-keto-propyl]-7-methoxy-benzofuran-3-carboxylic acid hex-5-enyl ester Formula: C31H44N2O6 MolecularWeight: 540.69086

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)NC(=O)CCC1=CC(=C2C(=C1)C(=C(O2)CCCC#N)C(=O)OCCCCC=C)OC

Isomeric SMILES

CC(CCCC(C)(C)O)NC(=O)CCC1=CC(=C2C(=C1)C(=C(O2)CCCC#N)C(=O)OCCCCC=C)OC

InChI

InChI=1S/C31H44N2O6/c1-6-7-8-11-19-38-30(35)28-24-20-23(15-16-27(34)33-22(2)13-12-17-31(3,4)36)21-26(37-5)29(24)39-25(28)14-9-10-18-32/h6,20-22,36H,1,7-17,19H2,2-5H3,(H,33,34)