2-[3-[6-chloranyl-1-(4-methylphenyl)-3H-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[3-[6-chloranyl-1-(4-methylphenyl)-3H-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-[6-chloro-1-(p-tolyl)-3H-isobenzofuran-1-yl]propyl-methyl-amino]acetic acid CAS Name: 2-[3-[6-chloro-1-(4-methylphenyl)-3H-isobenzofuran-1-yl]propyl-methylamino]acetic acid IUPAC Name: 2-[3-[6-chloro-1-(4-methylphenyl)-3H-2-benzofuran-1-yl]propyl-methylamino]acetic acid Traditional Name: 2-[3-[6-chloro-1-(p-tolyl)phthalan-1-yl]propyl-methyl-amino]acetic acid Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C3=C(CO2)C=CC(=C3)Cl)CCCN(C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2(C3=C(CO2)C=CC(=C3)Cl)CCCN(C)CC(=O)O

InChI

InChI=1S/C21H24ClNO3/c1-15-4-7-17(8-5-15)21(10-3-11-23(2)13-20(24)25)19-12-18(22)9-6-16(19)14-26-21/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,24,25)