(2R)-2-[(7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylazaniumyl]butanoate

Systemtic Name: (2R)-2-[(7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylazaniumyl]butanoate Openeye Name: (2R)-2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylammonio]butanoate CAS Name: (2R)-2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-6-yl)methylammonio]butanoate IUPAC Name: (2R)-2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylazaniumyl]butanoate Traditional Name: (2R)-2-[(7-hydroxy-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylammonio]butyrate Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)O

Isomeric SMILES

CC[C@H](C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)O

InChI

InChI=1S/C17H19NO5/c1-2-13(16(20)21)18-8-12-14(19)7-6-10-9-4-3-5-11(9)17(22)23-15(10)12/h6-7,13,18-19H,2-5,8H2,1H3,(H,20,21)/t13-/m1/s1