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

Systemtic Name: 4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[(2S)-2-(dimethylamino)-3-phenylpropyl]amino]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[[(2S)-2-(dimethylamino)-3-phenylpropyl]amino]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[(2S)-2-(dimethylamino)-3-phenyl-propyl]amino]methyl]-6-isopropyl-7-methyl-coumarin Formula: C25H32N2O2 MolecularWeight: 392.53378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O2/c1-17(2)22-14-23-20(13-25(28)29-24(23)11-18(22)3)15-26-16-21(27(4)5)12-19-9-7-6-8-10-19/h6-11,13-14,17,21,26H,12,15-16H2,1-5H3/t21-/m0/s1