[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C26H28ClNO3 MolecularWeight: 437.95842

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NCC4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NCC4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H28ClNO3/c27-22-8-6-18(7-9-22)15-28-23(29)16-31-24(30)26-13-19-10-20(14-26)12-25(11-19,17-26)21-4-2-1-3-5-21/h1-9,19-20H,10-17H2,(H,28,29)