4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[(2S)-2-(dimethylamino)-3-phenylpropyl]amino]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(2S)-2-(dimethylamino)-3-phenylpropyl]amino]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-6,7-dimethyl-coumarin Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCC(CC3=CC=CC=C3)N(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC[C@H](CC3=CC=CC=C3)N(C)C)C

InChI

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