3-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)carbamoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)carbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[(4-chloroanilino)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)carbamoylamino]propionic acid Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O5/c18-11-2-4-12(5-3-11)19-17(23)20-13(8-16(21)22)10-1-6-14-15(7-10)25-9-24-14/h1-7,13H,8-9H2,(H,21,22)(H2,19,20,23)