[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33NO4/c1-16(2)7-23(28)26-21-5-3-20(4-6-21)22(27)15-30-24(29)14-25-11-17-8-18(12-25)10-19(9-17)13-25/h3-6,16-19H,7-15H2,1-2H3,(H,26,28)