4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]amino]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]methyl]-6,7-dimethyl-coumarin Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCC(C3=CC=C(C=C3)OC)N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC[C@H](C3=CC=C(C=C3)OC)N4CCCCC4)C

InChI

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