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

Systemtic Name: 2-[4-[3-(7-azanyl-5-chloranyl-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-oxidanylidene-propyl]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(7-amino-5-chloro-2-methyl-2,3-dihydrobenzofuran-3-yl)-3-oxo-propyl]phenyl]acetic acid CAS Name: 2-[4-[3-(7-amino-5-chloro-2-methyl-2,3-dihydrobenzofuran-3-yl)-3-oxopropyl]phenyl]acetic acid IUPAC Name: 2-[4-[3-(7-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-oxopropyl]phenyl]acetic acid Traditional Name: 2-[4-[3-(7-amino-5-chloro-2-methyl-coumaran-3-yl)-3-keto-propyl]phenyl]acetic acid Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO4/c1-11-19(15-9-14(21)10-16(22)20(15)26-11)17(23)7-6-12-2-4-13(5-3-12)8-18(24)25/h2-5,9-11,19H,6-8,22H2,1H3,(H,24,25)