[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31NO4/c1-16(26)25-8-2-3-17-4-6-21(7-5-17)22(27)15-29-23(28)24-12-18-9-19(13-24)11-20(10-18)14-24/h4-7,18-20H,2-3,8-15H2,1H3,(H,25,26)