4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[(2S)-2-(dimethylamino)-3-phenylpropyl]amino]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(2S)-2-(dimethylamino)-3-phenylpropyl]amino]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-7-ethyl-coumarin Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNCC(CC3=CC=CC=C3)N(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNC[C@H](CC3=CC=CC=C3)N(C)C

InChI

InChI=1S/C23H28N2O2/c1-4-17-10-11-21-19(14-23(26)27-22(21)13-17)15-24-16-20(25(2)3)12-18-8-6-5-7-9-18/h5-11,13-14,20,24H,4,12,15-16H2,1-3H3/t20-/m0/s1