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

Systemtic Name: (2R)-2-[(7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylazaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-6-yl)methylammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylazaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[(7-hydroxy-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylammonio]-3-phenyl-propionate Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3C[NH2+]C(CC4=CC=CC=C4)C(=O)[O-])O

Isomeric SMILES

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3C[NH2+][C@H](CC4=CC=CC=C4)C(=O)[O-])O

InChI

InChI=1S/C22H21NO5/c24-19-10-9-15-14-7-4-8-16(14)22(27)28-20(15)17(19)12-23-18(21(25)26)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,18,23-24H,4,7-8,11-12H2,(H,25,26)/t18-/m1/s1