(2S)-2-(1-methylindol-3-yl)butanedioate

Systemtic Name: (2S)-2-(1-methylindol-3-yl)butanedioate Openeye Name: (2S)-2-(1-methylindol-3-yl)butanedioate CAS Name: (2S)-2-(1-methyl-3-indolyl)butanedioate IUPAC Name: (2S)-2-(1-methylindol-3-yl)butanedioate Traditional Name: (2S)-2-(1-methylindol-3-yl)succinate Formula: C13H11NO4-2 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H13NO4/c1-14-7-10(8-4-2-3-5-11(8)14)9(13(17)18)6-12(15)16/h2-5,7,9H,6H2,1H3,(H,15,16)(H,17,18)/p-2/t9-/m0/s1