bis(phenylmethyl) 2-[(1S)-1-cyclohexyl-3-oxidanylidene-3-(2-pyrrolidin-1-ylcarbonylpyrrol-1-yl)propyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(1S)-1-cyclohexyl-3-oxidanylidene-3-(2-pyrrolidin-1-ylcarbonylpyrrol-1-yl)propyl]propanedioate Openeye Name: dibenzyl 2-[(1S)-1-cyclohexyl-3-oxo-3-[2-(pyrrolidine-1-carbonyl)pyrrol-1-yl]propyl]propanedioate CAS Name: 2-[(1S)-1-cyclohexyl-3-oxo-3-[2-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolyl]propyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(1S)-1-cyclohexyl-3-oxo-3-[2-(pyrrolidine-1-carbonyl)pyrrol-1-yl]propyl]propanedioate Traditional Name: 2-[(1S)-1-cyclohexyl-3-keto-3-[2-(pyrrolidine-1-carbonyl)pyrrol-1-yl]propyl]malonic acid dibenzyl ester Formula: C35H40N2O6 MolecularWeight: 584.7019

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)N2C=CC=C2C(=O)N3CCCC3)C(C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)[C@H](CC(=O)N2C=CC=C2C(=O)N3CCCC3)C(C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H40N2O6/c38-31(37-22-12-19-30(37)33(39)36-20-10-11-21-36)23-29(28-17-8-3-9-18-28)32(34(40)42-24-26-13-4-1-5-14-26)35(41)43-25-27-15-6-2-7-16-27/h1-2,4-7,12-16,19,22,28-29,32H,3,8-11,17-18,20-21,23-25H2/t29-/m0/s1