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

Systemtic Name: 6-chloranyl-4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[(2S)-2-(dimethylamino)-3-phenylpropyl]amino]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[[(2S)-2-(dimethylamino)-3-phenylpropyl]amino]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-7-methyl-coumarin Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNCC(CC3=CC=CC=C3)N(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC[C@H](CC3=CC=CC=C3)N(C)C)Cl

InChI

InChI=1S/C22H25ClN2O2/c1-15-9-21-19(12-20(15)23)17(11-22(26)27-21)13-24-14-18(25(2)3)10-16-7-5-4-6-8-16/h4-9,11-12,18,24H,10,13-14H2,1-3H3/t18-/m0/s1