diethyl 2-[3-[3,5-bis(1-methylcyclohexyl)-4-oxidanyl-phenyl]propanoylamino]butanedioate

Systemtic Name: diethyl 2-[3-[3,5-bis(1-methylcyclohexyl)-4-oxidanyl-phenyl]propanoylamino]butanedioate Openeye Name: diethyl 2-[3-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]propanoylamino]butanedioate CAS Name: 2-[[3-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]-1-oxopropyl]amino]butanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]propanoylamino]butanedioate Traditional Name: 2-[3-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]propanoylamino]succinic acid diethyl ester Formula: C31H47NO6 MolecularWeight: 529.70798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)OCC)NC(=O)CCC1=CC(=C(C(=C1)C2(CCCCC2)C)O)C3(CCCCC3)C

Isomeric SMILES

CCOC(=O)CC(C(=O)OCC)NC(=O)CCC1=CC(=C(C(=C1)C2(CCCCC2)C)O)C3(CCCCC3)C

InChI

InChI=1S/C31H47NO6/c1-5-37-27(34)21-25(29(36)38-6-2)32-26(33)14-13-22-19-23(30(3)15-9-7-10-16-30)28(35)24(20-22)31(4)17-11-8-12-18-31/h19-20,25,35H,5-18,21H2,1-4H3,(H,32,33)