[2-[6-chloranyl-2-methoxy-3-(methoxymethyl)pyridin-4-yl]-1-[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-1-oxidanylidene-butan-2-yl] 4-phenylbenzoate

Systemtic Name: [2-[6-chloranyl-2-methoxy-3-(methoxymethyl)pyridin-4-yl]-1-[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-1-oxidanylidene-butan-2-yl] 4-phenylbenzoate Openeye Name: [1-[6-chloro-2-methoxy-3-(methoxymethyl)-4-pyridyl]-1-[5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexoxy]carbonyl-propyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-[6-chloro-2-methoxy-3-(methoxymethyl)-4-pyridinyl]-1-[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-1-oxobutan-2-yl] ester IUPAC Name: [2-[6-chloro-2-methoxy-3-(methoxymethyl)pyridin-4-yl]-1-[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-1-oxobutan-2-yl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [1-[6-chloro-2-methoxy-3-(methoxymethyl)-4-pyridyl]-1-(2-cumyl-5-methyl-cyclohexoxy)carbonyl-propyl] ester Formula: C41H46ClNO6 MolecularWeight: 684.26004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=NC(=C1COC)OC)Cl)(C(=O)OC2CC(CCC2C(C)(C)C3=CC=CC=C3)C)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(C1=CC(=NC(=C1COC)OC)Cl)(C(=O)OC2CC(CCC2C(C)(C)C3=CC=CC=C3)C)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C41H46ClNO6/c1-7-41(34-25-36(42)43-37(47-6)32(34)26-46-5,49-38(44)30-21-19-29(20-22-30)28-14-10-8-11-15-28)39(45)48-35-24-27(2)18-23-33(35)40(3,4)31-16-12-9-13-17-31/h8-17,19-22,25,27,33,35H,7,18,23-24,26H2,1-6H3