3-(4-phenoxybutanoylamino)adamantane-1-carboxylic acid

Systemtic Name: 3-(4-phenoxybutanoylamino)adamantane-1-carboxylic acid Openeye Name: 3-(4-phenoxybutanoylamino)adamantane-1-carboxylic acid CAS Name: 3-[(1-oxo-4-phenoxybutyl)amino]-1-adamantanecarboxylic acid IUPAC Name: 3-(4-phenoxybutanoylamino)adamantane-1-carboxylic acid Traditional Name: 3-(4-phenoxybutanoylamino)adamantane-1-carboxylic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)NC(=O)CCCOC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)NC(=O)CCCOC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H27NO4/c23-18(7-4-8-26-17-5-2-1-3-6-17)22-21-12-15-9-16(13-21)11-20(10-15,14-21)19(24)25/h1-3,5-6,15-16H,4,7-14H2,(H,22,23)(H,24,25)