4-[[[(1S)-1-(3,4-dipropoxyphenyl)ethyl]amino]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[[(1S)-1-(3,4-dipropoxyphenyl)ethyl]amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[[(1S)-1-(3,4-dipropoxyphenyl)ethyl]amino]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[(1S)-1-(3,4-dipropoxyphenyl)ethyl]amino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(1S)-1-(3,4-dipropoxyphenyl)ethyl]amino]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[(1S)-1-(3,4-dipropoxyphenyl)ethyl]amino]methyl]-7,8-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=C2C=CC(=C3C)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H](C)NCC2=CC(=O)OC3=C2C=CC(=C3C)C)OCCC

InChI

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