8-[(1R)-2-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-1-oxidanyl-ethyl]-6-oxidanyl-4H-1,4-benzoxazin-3-one; 2-oxidanylbenzoic acid

Systemtic Name: 8-[(1R)-2-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-1-oxidanyl-ethyl]-6-oxidanyl-4H-1,4-benzoxazin-3-one; 2-oxidanylbenzoic acid Openeye Name: 2-hydroxybenzoic acid; 6-hydroxy-8-[(1R)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-hydroxybenzoic acid; 6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-hydroxybenzoic acid; 6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-hydroxy-8-[(1R)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]ethyl]-4H-1,4-benzoxazin-3-one; salicylic acid Formula: C28H32N2O8 MolecularWeight: 524.56228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)OC)NCC(C2=CC(=CC3=C2OCC(=O)N3)O)O.C1=CC=C(C(=C1)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5.C7H6O3/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17;8-6-4-2-1-3-5(6)7(9)10/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26);1-4,8H,(H,9,10)/t18-;/m0./s1