methyl 2-[[7-[(1R)-2-methyl-1-oxidanyl-propyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]carbonyl]benzoate

Systemtic Name: methyl 2-[[7-[(1R)-2-methyl-1-oxidanyl-propyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]carbonyl]benzoate Openeye Name: methyl 2-[7-[(1R)-1-hydroxy-2-methyl-propyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]benzoate CAS Name: 2-[[7-[(1R)-1-hydroxy-2-methylpropyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[7-[(1R)-1-hydroxy-2-methylpropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]benzoate Traditional Name: 2-[7-[(1R)-1-hydroxy-2-methyl-propyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]benzoic acid methyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCN(C2)C(=O)C3=CC=CC=C3C(=O)OC)O

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCN(C2)C(=O)C3=CC=CC=C3C(=O)OC)O

InChI

InChI=1S/C22H25NO5/c1-14(2)20(24)15-8-9-19-16(12-15)13-23(10-11-28-19)21(25)17-6-4-5-7-18(17)22(26)27-3/h4-9,12,14,20,24H,10-11,13H2,1-3H3/t20-/m1/s1