8-[(1R)-2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-oxidanyl-ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 8-[(1R)-2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-oxidanyl-ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one hydrochloride Openeye Name: 6-benzyloxy-8-[(1R)-2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]-4H-1,4-benzoxazin-3-one hydrochloride CAS Name: 8-[(1R)-1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 8-[(1R)-1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one hydrochloride Traditional Name: 6-benzoxy-8-[(1R)-2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]-4H-1,4-benzoxazin-3-one hydrochloride Formula: C27H31ClN2O4 MolecularWeight: 482.99904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=CC3=C2OCC(=O)N3)OCC4=CC=CC=C4)O.Cl

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)NC[C@@H](C2=CC(=CC3=C2OCC(=O)N3)OCC4=CC=CC=C4)O.Cl

InChI

InChI=1S/C27H30N2O4.ClH/c1-27(2,15-19-9-5-3-6-10-19)28-16-24(30)22-13-21(32-17-20-11-7-4-8-12-20)14-23-26(22)33-18-25(31)29-23;/h3-14,24,28,30H,15-18H2,1-2H3,(H,29,31);1H/t24-;/m0./s1