4-ethoxycarbonyl-3-methyl-5-(phenylazanylmethyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-ethoxycarbonyl-3-methyl-5-(phenylazanylmethyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 5-(anilinomethyl)-4-ethoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-(anilinomethyl)-4-ethoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-(anilinomethyl)-4-ethoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-(anilinomethyl)-4-carbethoxy-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)O)CNC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)O)CNC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O4/c1-3-22-16(21)13-10(2)14(15(19)20)18-12(13)9-17-11-7-5-4-6-8-11/h4-8,17-18H,3,9H2,1-2H3,(H,19,20)