3-[1-(phenylmethyl)indol-3-yl]pentanedioic acid

Systemtic Name: 3-[1-(phenylmethyl)indol-3-yl]pentanedioic acid Openeye Name: 3-(1-benzylindol-3-yl)pentanedioic acid CAS Name: 3-[1-(phenylmethyl)-3-indolyl]pentanedioic acid IUPAC Name: 3-(1-benzylindol-3-yl)pentanedioic acid Traditional Name: 3-(1-benzylindol-3-yl)glutaric acid Formula: C20H19NO4 MolecularWeight: 337.36916

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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)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(CC(=O)O)CC(=O)O

InChI

InChI=1S/C20H19NO4/c22-19(23)10-15(11-20(24)25)17-13-21(12-14-6-2-1-3-7-14)18-9-5-4-8-16(17)18/h1-9,13,15H,10-12H2,(H,22,23)(H,24,25)