2-azanylbutanedioic acid; 4-(2-methoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 2-azanylbutanedioic acid; 4-(2-methoxyphenyl)piperazine-1-carboxamide Openeye Name: 2-aminobutanedioic acid; 4-(2-methoxyphenyl)piperazine-1-carboxamide CAS Name: 2-aminobutanedioic acid; 4-(2-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 2-aminobutanedioic acid; 4-(2-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 2-aminosuccinic acid; 4-(2-methoxyphenyl)piperazine-1-carboxamide Formula: C16H24N4O6 MolecularWeight: 368.38496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)N.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)N.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C12H17N3O2.C4H7NO4/c1-17-11-5-3-2-4-10(11)14-6-8-15(9-7-14)12(13)16;5-2(4(8)9)1-3(6)7/h2-5H,6-9H2,1H3,(H2,13,16);2H,1,5H2,(H,6,7)(H,8,9)