2-[3-(2-chloranyl-1-phenyl-ethyl)-2-methyl-1-propyl-indol-5-yl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[3-(2-chloranyl-1-phenyl-ethyl)-2-methyl-1-propyl-indol-5-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[3-(2-chloro-1-phenyl-ethyl)-2-methyl-1-propyl-indol-5-yl]oxy-2-methyl-propanoic acid CAS Name: 2-[[3-(2-chloro-1-phenylethyl)-2-methyl-1-propyl-5-indolyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[3-(2-chloro-1-phenylethyl)-2-methyl-1-propylindol-5-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[3-(2-chloro-1-phenyl-ethyl)-2-methyl-1-propyl-indol-5-yl]oxy-2-methyl-propionic acid Formula: C24H28ClNO3 MolecularWeight: 413.93702

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=C1C=CC(=C2)OC(C)(C)C(=O)O)C(CCl)C3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=C(C2=C1C=CC(=C2)OC(C)(C)C(=O)O)C(CCl)C3=CC=CC=C3)C

InChI

InChI=1S/C24H28ClNO3/c1-5-13-26-16(2)22(20(15-25)17-9-7-6-8-10-17)19-14-18(11-12-21(19)26)29-24(3,4)23(27)28/h6-12,14,20H,5,13,15H2,1-4H3,(H,27,28)