[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C20H25NO4/c1-12-8-4-6-10-16(12)21-19(22)14(3)24-20(23)18-13(2)15-9-5-7-11-17(15)25-18/h5,7,9,11-12,14,16H,4,6,8,10H2,1-3H3,(H,21,22)