3-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]-1-benzofuran-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-[[2-[(5-chloranylpyridin-2-yl)carbamoyl]-1-benzofuran-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[2-[(5-chloro-2-pyridyl)carbamoyl]benzofuran-3-yl]carbamoylamino]propanoic acid CAS Name: 3-[[[[2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-benzofuranyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[(5-chloropyridin-2-yl)carbamoyl]-1-benzofuran-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[2-[(5-chloro-2-pyridyl)carbamoyl]benzofuran-3-yl]carbamoylamino]propionic acid Formula: C18H15ClN4O5 MolecularWeight: 402.7885

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)NC3=NC=C(C=C3)Cl)NC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)NC3=NC=C(C=C3)Cl)NC(=O)NCCC(=O)O

InChI

InChI=1S/C18H15ClN4O5/c19-10-5-6-13(21-9-10)22-17(26)16-15(11-3-1-2-4-12(11)28-16)23-18(27)20-8-7-14(24)25/h1-6,9H,7-8H2,(H,24,25)(H2,20,23,27)(H,21,22,26)