3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-chloranyl-phenyl]cyclopent-2-en-1-one

Systemtic Name: 3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-chloranyl-phenyl]cyclopent-2-en-1-one Openeye Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-chloro-phenyl]cyclopent-2-en-1-one CAS Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorophenyl]-1-cyclopent-2-enone IUPAC Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorophenyl]cyclopent-2-en-1-one Traditional Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-chloro-phenyl]cyclopent-2-en-1-one Formula: C18H24ClNO3 MolecularWeight: 337.84106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=CC(=C1)Cl)C2=CC(=O)CC2)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=CC(=C1)Cl)C2=CC(=O)CC2)O

InChI

InChI=1S/C18H24ClNO3/c1-18(2,3)20-10-15(22)11-23-17-9-13(19)5-7-16(17)12-4-6-14(21)8-12/h5,7-9,15,20,22H,4,6,10-11H2,1-3H3