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2-ethoxycarbonyl-2-(1H-indol-3-ylmethyl)butanedioic acid

2-ethoxycarbonyl-2-(1H-indol-3-ylmethyl)butanedioic acid

Systemtic Name:2-ethoxycarbonyl-2-(1H-indol-3-ylmethyl)butanedioic acid
Openeye Name:2-ethoxycarbonyl-2-(1H-indol-3-ylmethyl)butanedioic acid
CAS Name:2-ethoxycarbonyl-2-(1H-indol-3-ylmethyl)butanedioic acid
IUPAC Name:2-ethoxycarbonyl-2-(1H-indol-3-ylmethyl)butanedioic acid
Traditional Name:2-carbethoxy-2-(1H-indol-3-ylmethyl)succinic acid
Formula: C16H17NO6
MolecularWeight: 319.30928
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=CC=CC=C21)(CC(=O)O)C(=O)O


Isomeric SMILES

CCOC(=O)C(CC1=CNC2=CC=CC=C21)(CC(=O)O)C(=O)O


InChI

InChI=1S/C16H17NO6/c1-2-23-15(22)16(14(20)21,8-13(18)19)7-10-9-17-12-6-4-3-5-11(10)12/h3-6,9,17H,2,7-8H2,1H3,(H,18,19)(H,20,21)


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