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

Systemtic Name: (2S)-2-(1-ethylindol-3-yl)butanedioate Openeye Name: (2S)-2-(1-ethylindol-3-yl)butanedioate CAS Name: (2S)-2-(1-ethyl-3-indolyl)butanedioate IUPAC Name: (2S)-2-(1-ethylindol-3-yl)butanedioate Traditional Name: (2S)-2-(1-ethylindol-3-yl)succinate Formula: C14H13NO4-2 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H15NO4/c1-2-15-8-11(9-5-3-4-6-12(9)15)10(14(18)19)7-13(16)17/h3-6,8,10H,2,7H2,1H3,(H,16,17)(H,18,19)/p-2/t10-/m0/s1