6-methyl-3-[[7-[(2S)-2-oxidanyl-1-phenoxy-propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one

Systemtic Name: 6-methyl-3-[[7-[(2S)-2-oxidanyl-1-phenoxy-propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one Openeye Name: 3-[[7-[(1S)-1-hydroxy-1-methyl-2-phenoxy-ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-6-methyl-chromen-4-one CAS Name: 3-[[7-[(2S)-2-hydroxy-1-phenoxypropan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 3-[[7-[(2S)-2-hydroxy-1-phenoxypropan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-6-methylchromen-4-one Traditional Name: 3-[[7-[(1S)-1-hydroxy-1-methyl-2-phenoxy-ethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-6-methyl-chromone Formula: C29H29NO5 MolecularWeight: 471.54426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)CN3CCOC4=C(C3)C=C(C=C4)C(C)(COC5=CC=CC=C5)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)CN3CCOC4=C(C3)C=C(C=C4)[C@@](C)(COC5=CC=CC=C5)O

InChI

InChI=1S/C29H29NO5/c1-20-8-10-27-25(14-20)28(31)22(18-34-27)17-30-12-13-33-26-11-9-23(15-21(26)16-30)29(2,32)19-35-24-6-4-3-5-7-24/h3-11,14-15,18,32H,12-13,16-17,19H2,1-2H3/t29-/m1/s1