[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methylazanium; 2-phenylethanoate

Systemtic Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methylazanium; 2-phenylethanoate Openeye Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methylammonium; 2-phenylacetate CAS Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methylammonium; 2-phenylacetate IUPAC Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methylazanium; 2-phenylacetate Traditional Name: [4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methylammonium; 2-phenylacetate Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)[O-].C1=C(C(=C(N1)C[NH3+])CC(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)[O-].C1=C(C(=C(N1)C[NH3+])CC(=O)O)CCC(=O)O

InChI

InChI=1S/C10H14N2O4.C8H8O2/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14;9-8(10)6-7-4-2-1-3-5-7/h5,12H,1-4,11H2,(H,13,14)(H,15,16);1-5H,6H2,(H,9,10)