methyl 5-[[4-[(3-methyl-1-benzofuran-2-yl)carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(3-methyl-1-benzofuran-2-yl)carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-methylbenzofuran-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(3-methyl-2-benzofuranyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-methyl-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(3-methylbenzofuran-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C22H24N2O5/c1-15-17-6-3-4-7-18(17)29-20(15)21(25)24-11-5-10-23(12-13-24)14-16-8-9-19(28-16)22(26)27-2/h3-4,6-9H,5,10-14H2,1-2H3