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2-acetamido-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioic acid

2-acetamido-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioic acid

Systemtic Name:2-acetamido-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioic acid
Openeye Name:2-acetamido-2-[(5-benzyloxy-1H-indol-3-yl)methyl]propanedioic acid
CAS Name:2-acetamido-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioic acid
IUPAC Name:2-acetamido-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioic acid
Traditional Name:2-acetamido-2-[(5-benzoxy-1H-indol-3-yl)methyl]malonic acid
Formula: C21H20N2O6
MolecularWeight: 396.3933
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)(C(=O)O)C(=O)O


Isomeric SMILES

CC(=O)NC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)(C(=O)O)C(=O)O


InChI

InChI=1S/C21H20N2O6/c1-13(24)23-21(19(25)26,20(27)28)10-15-11-22-18-8-7-16(9-17(15)18)29-12-14-5-3-2-4-6-14/h2-9,11,22H,10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)


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