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1-ethyl-2-methyl-5-(phenylmethyl)pyrrole-3,4-dicarboxylic acid

1-ethyl-2-methyl-5-(phenylmethyl)pyrrole-3,4-dicarboxylic acid

Systemtic Name:1-ethyl-2-methyl-5-(phenylmethyl)pyrrole-3,4-dicarboxylic acid
Openeye Name:2-benzyl-1-ethyl-5-methyl-pyrrole-3,4-dicarboxylic acid
CAS Name:1-ethyl-2-methyl-5-(phenylmethyl)pyrrole-3,4-dicarboxylic acid
IUPAC Name:2-benzyl-1-ethyl-5-methylpyrrole-3,4-dicarboxylic acid
Traditional Name:2-benzyl-1-ethyl-5-methyl-pyrrole-3,4-dicarboxylic acid
Formula: C16H17NO4
MolecularWeight: 287.31048
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1CC2=CC=CC=C2)C(=O)O)C(=O)O)C


Isomeric SMILES

CCN1C(=C(C(=C1CC2=CC=CC=C2)C(=O)O)C(=O)O)C


InChI

InChI=1S/C16H17NO4/c1-3-17-10(2)13(15(18)19)14(16(20)21)12(17)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,18,19)(H,20,21)


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