3-[4-[3-(7-azanyl-5-chloranyl-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-oxidanylidene-propyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(7-azanyl-5-chloranyl-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-oxidanylidene-propyl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(7-amino-5-chloro-2-methyl-2,3-dihydrobenzofuran-3-yl)-3-oxo-propyl]phenyl]propanoic acid CAS Name: 3-[4-[3-(7-amino-5-chloro-2-methyl-2,3-dihydrobenzofuran-3-yl)-3-oxopropyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(7-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-oxopropyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(7-amino-5-chloro-2-methyl-coumaran-3-yl)-3-keto-propyl]phenyl]propionic acid Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC(=CC(=C2O1)N)Cl)C(=O)CCC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1C(C2=CC(=CC(=C2O1)N)Cl)C(=O)CCC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H22ClNO4/c1-12-20(16-10-15(22)11-17(23)21(16)27-12)18(24)8-6-13-2-4-14(5-3-13)7-9-19(25)26/h2-5,10-12,20H,6-9,23H2,1H3,(H,25,26)