(1-oxidanylidene-1-phenylazanyl-butan-2-yl) 3-oxidanyladamantane-1-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) 3-oxidanyladamantane-1-carboxylate Openeye Name: 1-(phenylcarbamoyl)propyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid 1-(phenylcarbamoyl)propyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C21H27NO4/c1-2-17(18(23)22-16-6-4-3-5-7-16)26-19(24)20-9-14-8-15(10-20)12-21(25,11-14)13-20/h3-7,14-15,17,25H,2,8-13H2,1H3,(H,22,23)