2-[3-[1-(4-chlorophenyl)-3,3-diethyl-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[3-[1-(4-chlorophenyl)-3,3-diethyl-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-[1-(4-chlorophenyl)-3,3-diethyl-isobenzofuran-1-yl]propyl-methyl-amino]acetic acid CAS Name: 2-[3-[1-(4-chlorophenyl)-3,3-diethyl-1-isobenzofuranyl]propyl-methylamino]acetic acid IUPAC Name: 2-[3-[1-(4-chlorophenyl)-3,3-diethyl-2-benzofuran-1-yl]propyl-methylamino]acetic acid Traditional Name: 2-[3-[1-(4-chlorophenyl)-3,3-diethyl-phthalan-1-yl]propyl-methyl-amino]acetic acid Formula: C24H30ClNO3 MolecularWeight: 415.9529

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C(O1)(CCCN(C)CC(=O)O)C3=CC=C(C=C3)Cl)CC

Isomeric SMILES

CCC1(C2=CC=CC=C2C(O1)(CCCN(C)CC(=O)O)C3=CC=C(C=C3)Cl)CC

InChI

InChI=1S/C24H30ClNO3/c1-4-23(5-2)20-9-6-7-10-21(20)24(29-23,18-11-13-19(25)14-12-18)15-8-16-26(3)17-22(27)28/h6-7,9-14H,4-5,8,15-17H2,1-3H3,(H,27,28)