(2R)-3-methyl-2-[(2-methyl-4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylamino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[(2-methyl-4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylamino]butanoic acid Openeye Name: (2R)-2-[(4-hydroxy-2-methyl-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylamino]-3-methyl-butanoic acid CAS Name: (2R)-2-[(4-hydroxy-2-methyl-7-oxo-3-phenoxy-5,6,8,8a-tetrahydro-1-benzopyran-8-yl)methylamino]-3-methylbutanoic acid IUPAC Name: (2R)-2-[(4-hydroxy-2-methyl-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylamino]-3-methylbutanoic acid Traditional Name: (2R)-2-[(4-hydroxy-7-keto-2-methyl-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylamino]-3-methyl-butyric acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)CNC(C(C)C)C(=O)O)O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)CN[C@H](C(C)C)C(=O)O)O)OC3=CC=CC=C3

InChI

InChI=1S/C22H27NO6/c1-12(2)18(22(26)27)23-11-16-17(24)10-9-15-19(25)20(13(3)28-21(15)16)29-14-7-5-4-6-8-14/h4-8,12,16,18,21,23,25H,9-11H2,1-3H3,(H,26,27)/t16?,18-,21?/m1/s1