[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C24H31NO4/c1-14(2)7-22(27)25-20-5-3-17(4-6-20)21(26)13-29-24(28)23-18-9-15-8-16(11-18)12-19(23)10-15/h3-6,14-16,18-19,23H,7-13H2,1-2H3,(H,25,27)