[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H21NO4/c1-13-14-8-4-5-9-15(14)23-17(13)18(21)22-12-16(20)19-10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3