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

Systemtic Name: (2R,3R)-3-methyl-2-[(2-methyl-4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylazaniumyl]pentanoate Openeye Name: (2R,3R)-2-[(4-hydroxy-2-methyl-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylammonio]-3-methyl-pentanoate CAS Name: (2R,3R)-2-[(4-hydroxy-2-methyl-7-oxo-3-phenoxy-5,6,8,8a-tetrahydro-1-benzopyran-8-yl)methylammonio]-3-methylpentanoate IUPAC Name: (2R,3R)-2-[(4-hydroxy-2-methyl-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylazaniumyl]-3-methylpentanoate Traditional Name: (2R,3R)-2-[(4-hydroxy-7-keto-2-methyl-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylammonio]-3-methyl-valerate Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]CC1C2C(=C(C(=C(O2)C)OC3=CC=CC=C3)O)CCC1=O

Isomeric SMILES

CC[C@@H](C)[C@H](C(=O)[O-])[NH2+]CC1C2C(=C(C(=C(O2)C)OC3=CC=CC=C3)O)CCC1=O

InChI

InChI=1S/C23H29NO6/c1-4-13(2)19(23(27)28)24-12-17-18(25)11-10-16-20(26)21(14(3)29-22(16)17)30-15-8-6-5-7-9-15/h5-9,13,17,19,22,24,26H,4,10-12H2,1-3H3,(H,27,28)/t13-,17?,19-,22?/m1/s1