2-[4-[(1R,3S)-1-(ethylaminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[4-[(1R,3S)-1-(ethylaminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-1-phenyl-ethanone Openeye Name: 2-[4-[(1R,3S)-1-(ethylaminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]-1-piperidyl]-1-phenyl-ethanone CAS Name: 2-[4-[(1R,3S)-1-(ethylaminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-2-benzopyran-3-yl]-1-piperidinyl]-1-phenylethanone IUPAC Name: 2-[4-[(1R,3S)-1-(ethylaminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-1-phenylethanone Traditional Name: 2-[4-[(1R,3S)-1-(ethylaminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]piperidino]-1-phenyl-ethanone Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1C2=C(CC(O1)C3CCN(CC3)CC(=O)C4=CC=CC=C4)C(=C(C=C2)C)O

Isomeric SMILES

CCNC[C@H]1C2=C(C[C@H](O1)C3CCN(CC3)CC(=O)C4=CC=CC=C4)C(=C(C=C2)C)O

InChI

InChI=1S/C26H34N2O3/c1-3-27-16-25-21-10-9-18(2)26(30)22(21)15-24(31-25)20-11-13-28(14-12-20)17-23(29)19-7-5-4-6-8-19/h4-10,20,24-25,27,30H,3,11-17H2,1-2H3/t24-,25-/m0/s1