6-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-4,7-dimethyl-chromen-2-one

Systemtic Name: 6-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-4,7-dimethyl-chromen-2-one Openeye Name: 6-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-4,7-dimethyl-chromen-2-one CAS Name: 6-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-4,7-dimethyl-1-benzopyran-2-one IUPAC Name: 6-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-4,7-dimethylchromen-2-one Traditional Name: 6-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-4,7-dimethyl-coumarin Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)OCC(CNC(C)(C)C)O)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)OC[C@H](CNC(C)(C)C)O)C

InChI

InChI=1S/C18H25NO4/c1-11-7-17(21)23-16-6-12(2)15(8-14(11)16)22-10-13(20)9-19-18(3,4)5/h6-8,13,19-20H,9-10H2,1-5H3/t13-/m0/s1