4-[[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]amino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]amino]methyl]-7,8-dimethyl-coumarin Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNCC(C3=CC=C(C=C3)OC)N4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC[C@H](C3=CC=C(C=C3)OC)N4CCCC4)C

InChI

InChI=1S/C25H30N2O3/c1-17-6-11-22-20(14-24(28)30-25(22)18(17)2)15-26-16-23(27-12-4-5-13-27)19-7-9-21(29-3)10-8-19/h6-11,14,23,26H,4-5,12-13,15-16H2,1-3H3/t23-/m1/s1