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

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C30H35NO4 MolecularWeight: 473.6032

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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)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C30H35NO4/c1-21(32)31-13-5-6-22-9-11-25(12-10-22)27(33)19-35-28(34)30-17-23-14-24(18-30)16-29(15-23,20-30)26-7-3-2-4-8-26/h2-4,7-12,23-24H,5-6,13-20H2,1H3,(H,31,32)