[4-(phenylcarbamoyl)phenyl]methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C25H26ClNO3 MolecularWeight: 423.93184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H26ClNO3/c26-25-13-18-10-19(14-25)12-24(11-18,16-25)23(29)30-15-17-6-8-20(9-7-17)22(28)27-21-4-2-1-3-5-21/h1-9,18-19H,10-16H2,(H,27,28)/t18-,19+,24?,25?