[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H36N2O4/c1-15(2)27-16(3)5-21(17(27)4)22(28)14-31-24(30)13-26-23(29)12-25-9-18-6-19(10-25)8-20(7-18)11-25/h5,15,18-20H,6-14H2,1-4H3,(H,26,29)