(2S)-2-[1-(phenylmethyl)indol-3-yl]butanedioate

Systemtic Name: (2S)-2-[1-(phenylmethyl)indol-3-yl]butanedioate Openeye Name: (2S)-2-(1-benzylindol-3-yl)butanedioate CAS Name: (2S)-2-[1-(phenylmethyl)-3-indolyl]butanedioate IUPAC Name: (2S)-2-(1-benzylindol-3-yl)butanedioate Traditional Name: (2S)-2-(1-benzylindol-3-yl)succinate Formula: C19H15NO4-2 MolecularWeight: 321.3267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H17NO4/c21-18(22)10-15(19(23)24)16-12-20(11-13-6-2-1-3-7-13)17-9-5-4-8-14(16)17/h1-9,12,15H,10-11H2,(H,21,22)(H,23,24)/p-2/t15-/m0/s1