methyl 4-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-chloranyl-phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-chloranyl-phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-chloro-phenyl]-4-oxo-butanoate CAS Name: 4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-chlorophenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-chlorophenyl]-4-oxobutanoate Traditional Name: 4-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-chloro-phenyl]-4-keto-butyric acid methyl ester Formula: C18H26ClNO5 MolecularWeight: 371.85574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=C(C=C1)Cl)C(=O)CCC(=O)OC)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=C(C=C1)Cl)C(=O)CCC(=O)OC)O

InChI

InChI=1S/C18H26ClNO5/c1-18(2,3)20-10-13(21)11-25-16-7-5-12(19)9-14(16)15(22)6-8-17(23)24-4/h5,7,9,13,20-21H,6,8,10-11H2,1-4H3