2-[3-[[[4-(2-azanylethylcarbamoyl)phenyl]amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[[4-(2-azanylethylcarbamoyl)phenyl]amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[4-(2-aminoethylcarbamoyl)anilino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[4-[(2-aminoethylamino)-oxomethyl]anilino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[4-(2-aminoethylcarbamoyl)anilino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[4-(2-aminoethylcarbamoyl)anilino]methyl]phenoxy]acetic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)O)CNC2=CC=C(C=C2)C(=O)NCCN

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)CNC2=CC=C(C=C2)C(=O)NCCN

InChI

InChI=1S/C18H21N3O4/c19-8-9-20-18(24)14-4-6-15(7-5-14)21-11-13-2-1-3-16(10-13)25-12-17(22)23/h1-7,10,21H,8-9,11-12,19H2,(H,20,24)(H,22,23)