[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4

InChI

InChI=1S/C26H29NO5/c1-17-9-8-13-22(18(17)2)27-24(28)16-31-26(29)25-21(15-30-19-10-4-3-5-11-19)20-12-6-7-14-23(20)32-25/h3-7,10-12,14,17-18,22H,8-9,13,15-16H2,1-2H3,(H,27,28)