2-[2-(4-azanylindol-1-yl)ethanoyloxymethyl]-2-phenyl-propanedioic acid

Systemtic Name: 2-[2-(4-azanylindol-1-yl)ethanoyloxymethyl]-2-phenyl-propanedioic acid Openeye Name: 2-[[2-(4-aminoindol-1-yl)acetyl]oxymethyl]-2-phenyl-propanedioic acid CAS Name: 2-[[2-(4-amino-1-indolyl)-1-oxoethoxy]methyl]-2-phenylpropanedioic acid IUPAC Name: 2-[[2-(4-aminoindol-1-yl)acetyl]oxymethyl]-2-phenylpropanedioic acid Traditional Name: 2-[[2-(4-aminoindol-1-yl)acetyl]oxymethyl]-2-phenyl-malonic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(COC(=O)CN2C=CC3=C2C=CC=C3N)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(COC(=O)CN2C=CC3=C2C=CC=C3N)(C(=O)O)C(=O)O

InChI

InChI=1S/C20H18N2O6/c21-15-7-4-8-16-14(15)9-10-22(16)11-17(23)28-12-20(18(24)25,19(26)27)13-5-2-1-3-6-13/h1-10H,11-12,21H2,(H,24,25)(H,26,27)