N-[2,5-bis(but-1-ynoxy)-4-chloranyl-phenyl]-4,4-dimethyl-3-oxidanylidene-pentanamide

Systemtic Name: N-[2,5-bis(but-1-ynoxy)-4-chloranyl-phenyl]-4,4-dimethyl-3-oxidanylidene-pentanamide Openeye Name: N-[2,5-bis(but-1-ynoxy)-4-chloro-phenyl]-4,4-dimethyl-3-oxo-pentanamide CAS Name: N-[2,5-bis(but-1-ynoxy)-4-chlorophenyl]-4,4-dimethyl-3-oxopentanamide IUPAC Name: N-[2,5-bis(but-1-ynoxy)-4-chlorophenyl]-4,4-dimethyl-3-oxopentanamide Traditional Name: N-[2,5-bis(but-1-ynoxy)-4-chloro-phenyl]-3-keto-4,4-dimethyl-valeramide Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CCC#COC1=CC(=C(C=C1NC(=O)CC(=O)C(C)(C)C)OC#CCC)Cl

Isomeric SMILES

CCC#COC1=CC(=C(C=C1NC(=O)CC(=O)C(C)(C)C)OC#CCC)Cl

InChI

InChI=1S/C21H24ClNO4/c1-6-8-10-26-17-13-16(18(12-15(17)22)27-11-9-7-2)23-20(25)14-19(24)21(3,4)5/h12-13H,6-7,14H2,1-5H3,(H,23,25)