3-[4-[2-[(5-chloranyl-2-methyl-1,3-benzoxazol-7-yl)carbonylamino]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(5-chloranyl-2-methyl-1,3-benzoxazol-7-yl)carbonylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(5-chloro-2-methyl-1,3-benzoxazole-7-carbonyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(5-chloro-2-methyl-1,3-benzoxazol-7-yl)-oxomethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(5-chloro-2-methyl-1,3-benzoxazole-7-carbonyl)amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(5-chloro-2-methyl-1,3-benzoxazole-7-carbonyl)amino]ethyl]phenyl]propionic acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C(=CC(=C2)Cl)C(=O)NCCC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1=NC2=C(O1)C(=CC(=C2)Cl)C(=O)NCCC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C20H19ClN2O4/c1-12-23-17-11-15(21)10-16(19(17)27-12)20(26)22-9-8-14-4-2-13(3-5-14)6-7-18(24)25/h2-5,10-11H,6-9H2,1H3,(H,22,26)(H,24,25)