2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid; 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine

Systemtic Name: 2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid; 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine Openeye Name: 2,3-dihydroxy-4-oxo-butanoic acid; 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine CAS Name: 2,3-dihydroxy-4-oxobutanoic acid; 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine IUPAC Name: 2,3-dihydroxy-4-oxobutanoic acid; 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine Traditional Name: 2,3-dihydroxy-4-keto-butyric acid; 2-(2,7-dimethyl-1H-indol-3-yl)ethylamine Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=C2CCN)C.C(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CC1=CC=CC2=C1NC(=C2CCN)C.C(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C12H16N2.C4H6O5/c1-8-4-3-5-11-10(6-7-13)9(2)14-12(8)11;5-1-2(6)3(7)4(8)9/h3-5,14H,6-7,13H2,1-2H3;1-3,6-7H,(H,8,9)