(2R,3S)-3-methyl-2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]pentanoate

Systemtic Name: (2R,3S)-3-methyl-2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]pentanoate Openeye Name: (2R,3S)-2-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylammonio]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylammonio]-3-methylpentanoate IUPAC Name: (2R,3S)-2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylazaniumyl]-3-methylpentanoate Traditional Name: (2R,3S)-2-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylammonio]-3-methyl-valerate Formula: C17H21NO5 MolecularWeight: 319.35234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C=C2C)O

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C=C2C)O

InChI

InChI=1S/C17H21NO5/c1-4-9(2)15(17(21)22)18-8-12-13(19)6-5-11-10(3)7-14(20)23-16(11)12/h5-7,9,15,18-19H,4,8H2,1-3H3,(H,21,22)/t9-,15+/m0/s1