2-azanyl-N'-(2-hydroxyethyl)propanediamide; 2-(3-phenoxyphenyl)propanoic acid

Systemtic Name: 2-azanyl-N'-(2-hydroxyethyl)propanediamide; 2-(3-phenoxyphenyl)propanoic acid Openeye Name: 2-amino-N'-(2-hydroxyethyl)propanediamide; 2-(3-phenoxyphenyl)propanoic acid CAS Name: 2-amino-N'-(2-hydroxyethyl)propanediamide; 2-(3-phenoxyphenyl)propanoic acid IUPAC Name: 2-amino-N'-(2-hydroxyethyl)propanediamide; 2-(3-phenoxyphenyl)propanoic acid Traditional Name: 2-amino-N'-(2-hydroxyethyl)malonamide; 2-(3-phenoxyphenyl)propionic acid Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O.C(CO)NC(=O)C(C(=O)N)N

Isomeric SMILES

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O.C(CO)NC(=O)C(C(=O)N)N

InChI

InChI=1S/C15H14O3.C5H11N3O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;6-3(4(7)10)5(11)8-1-2-9/h2-11H,1H3,(H,16,17);3,9H,1-2,6H2,(H2,7,10)(H,8,11)