4-(carboxymethylamino)-3-ethoxycarbonyl-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(carboxymethylamino)-3-ethoxycarbonyl-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrole-2-carboxylic acid Openeye Name: 1-benzyl-4-(carboxymethylamino)-3-ethoxycarbonyl-5-oxo-2H-pyrrole-2-carboxylic acid CAS Name: 4-(carboxymethylamino)-3-ethoxycarbonyl-5-oxo-1-(phenylmethyl)-2H-pyrrole-2-carboxylic acid IUPAC Name: 1-benzyl-4-(carboxymethylamino)-3-ethoxycarbonyl-5-oxo-2H-pyrrole-2-carboxylic acid Traditional Name: 1-benzyl-3-carbethoxy-4-(carboxymethylamino)-5-keto-3-pyrroline-2-carboxylic acid Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N(C1C(=O)O)CC2=CC=CC=C2)NCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C(=O)N(C1C(=O)O)CC2=CC=CC=C2)NCC(=O)O

InChI

InChI=1S/C17H18N2O7/c1-2-26-17(25)12-13(18-8-11(20)21)15(22)19(14(12)16(23)24)9-10-6-4-3-5-7-10/h3-7,14,18H,2,8-9H2,1H3,(H,20,21)(H,23,24)