4-[[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]methyl]-7-ethyl-coumarin Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNCC(C3=CC=C(C=C3)OC)N(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNC[C@H](C3=CC=C(C=C3)OC)N(C)C

InChI

InChI=1S/C23H28N2O3/c1-5-16-6-11-20-18(13-23(26)28-22(20)12-16)14-24-15-21(25(2)3)17-7-9-19(27-4)10-8-17/h6-13,21,24H,5,14-15H2,1-4H3/t21-/m1/s1