4-[[[(1S)-1-(3,4-dipropoxyphenyl)ethyl]amino]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[[(1S)-1-(3,4-dipropoxyphenyl)ethyl]amino]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[[(1S)-1-(3,4-dipropoxyphenyl)ethyl]amino]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[(1S)-1-(3,4-dipropoxyphenyl)ethyl]amino]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(1S)-1-(3,4-dipropoxyphenyl)ethyl]amino]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[(1S)-1-(3,4-dipropoxyphenyl)ethyl]amino]methyl]-6,7-dimethyl-coumarin Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)NCC2=CC(=O)OC3=CC(=C(C=C23)C)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H](C)NCC2=CC(=O)OC3=CC(=C(C=C23)C)C)OCCC

InChI

InChI=1S/C26H33NO4/c1-6-10-29-23-9-8-20(14-25(23)30-11-7-2)19(5)27-16-21-15-26(28)31-24-13-18(4)17(3)12-22(21)24/h8-9,12-15,19,27H,6-7,10-11,16H2,1-5H3/t19-/m0/s1