tert-butyl 2-oxidanylidene-3-(5-phenylpent-4-ynyl)azepane-1-carboxylate

Systemtic Name: tert-butyl 2-oxidanylidene-3-(5-phenylpent-4-ynyl)azepane-1-carboxylate Openeye Name: tert-butyl 2-oxo-3-(5-phenylpent-4-ynyl)azepane-1-carboxylate CAS Name: 2-oxo-3-(5-phenylpent-4-ynyl)-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-oxo-3-(5-phenylpent-4-ynyl)azepane-1-carboxylate Traditional Name: 2-keto-3-(5-phenylpent-4-ynyl)azepane-1-carboxylic acid tert-butyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC(C1=O)CCCC#CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC(C1=O)CCCC#CC2=CC=CC=C2

InChI

InChI=1S/C22H29NO3/c1-22(2,3)26-21(25)23-17-11-10-16-19(20(23)24)15-9-5-8-14-18-12-6-4-7-13-18/h4,6-7,12-13,19H,5,9-11,15-17H2,1-3H3