[2-oxidanylidene-2-[4-(5-phenyl-1,2,3-triazol-1-yl)phenyl]ethyl] adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(5-phenyl-1,2,3-triazol-1-yl)phenyl]ethyl] adamantane-1-carboxylate Openeye Name: [2-oxo-2-[4-(5-phenyltriazol-1-yl)phenyl]ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-oxo-2-[4-(5-phenyl-1-triazolyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(5-phenyltriazol-1-yl)phenyl]ethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-[4-(5-phenyltriazol-1-yl)phenyl]ethyl] ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)C4=CC=C(C=C4)N5C(=CN=N5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)C4=CC=C(C=C4)N5C(=CN=N5)C6=CC=CC=C6

InChI

InChI=1S/C27H27N3O3/c31-25(17-33-26(32)27-13-18-10-19(14-27)12-20(11-18)15-27)22-6-8-23(9-7-22)30-24(16-28-29-30)21-4-2-1-3-5-21/h1-9,16,18-20H,10-15,17H2