4-(1-ethoxyethoxycarbonyl)-3-phenylazanyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(1-ethoxyethoxycarbonyl)-3-phenylazanyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-anilino-4-(1-ethoxyethoxycarbonyl)-1H-pyrrole-2-carboxylic acid CAS Name: 3-anilino-4-[1-ethoxyethoxy(oxo)methyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-anilino-4-(1-ethoxyethoxycarbonyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 3-anilino-4-(1-ethoxyethoxycarbonyl)-1H-pyrrole-2-carboxylic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OC(=O)C1=CNC(=C1NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(C)OC(=O)C1=CNC(=C1NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H18N2O5/c1-3-22-10(2)23-16(21)12-9-17-14(15(19)20)13(12)18-11-7-5-4-6-8-11/h4-10,17-18H,3H2,1-2H3,(H,19,20)