methyl 1-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[(5-chloro-3-methyl-benzofuran-2-carbonyl)amino]cycloheptanecarboxylate CAS Name: 1-[[(5-chloro-3-methyl-2-benzofuranyl)-oxomethyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]cycloheptane-1-carboxylate Traditional Name: 1-[(5-chloro-3-methyl-benzofuran-2-carbonyl)amino]cycloheptanecarboxylic acid methyl ester Formula: C19H22ClNO4 MolecularWeight: 363.83528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NC3(CCCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NC3(CCCCCC3)C(=O)OC

InChI

InChI=1S/C19H22ClNO4/c1-12-14-11-13(20)7-8-15(14)25-16(12)17(22)21-19(18(23)24-2)9-5-3-4-6-10-19/h7-8,11H,3-6,9-10H2,1-2H3,(H,21,22)