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

Systemtic Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]amino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]methyl]-7,8-dimethyl-coumarin Formula: C26H32N2O3 MolecularWeight: 420.54388

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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)N4CCCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC[C@H](C3=CC=C(C=C3)OC)N4CCCCC4)C

InChI

InChI=1S/C26H32N2O3/c1-18-7-12-23-21(15-25(29)31-26(23)19(18)2)16-27-17-24(28-13-5-4-6-14-28)20-8-10-22(30-3)11-9-20/h7-12,15,24,27H,4-6,13-14,16-17H2,1-3H3/t24-/m1/s1