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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [2-(1-allyl-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-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H34N2O4/c1-4-5-27-16(2)6-21(17(27)3)22(28)15-31-24(30)14-26-23(29)13-25-10-18-7-19(11-25)9-20(8-18)12-25/h4,6,18-20H,1,5,7-15H2,2-3H3,(H,26,29)