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

Systemtic Name: (2S)-2-(1-butylindol-3-yl)butanedioate Openeye Name: (2S)-2-(1-butylindol-3-yl)butanedioate CAS Name: (2S)-2-(1-butyl-3-indolyl)butanedioate IUPAC Name: (2S)-2-(1-butylindol-3-yl)butanedioate Traditional Name: (2S)-2-(1-butylindol-3-yl)succinate Formula: C16H17NO4-2 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=CC=CC=C21)C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCN1C=C(C2=CC=CC=C21)[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H19NO4/c1-2-3-8-17-10-13(11-6-4-5-7-14(11)17)12(16(20)21)9-15(18)19/h4-7,10,12H,2-3,8-9H2,1H3,(H,18,19)(H,20,21)/p-2/t12-/m0/s1