2-[3-(4-chlorophenyl)-1-dodecyl-2-methyl-indol-5-yl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)-1-dodecyl-2-methyl-indol-5-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[3-(4-chlorophenyl)-1-dodecyl-2-methyl-indol-5-yl]oxy-2-methyl-propanoic acid CAS Name: 2-[[3-(4-chlorophenyl)-1-dodecyl-2-methyl-5-indolyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[3-(4-chlorophenyl)-1-dodecyl-2-methylindol-5-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[3-(4-chlorophenyl)-1-lauryl-2-methyl-indol-5-yl]oxy-2-methyl-propionic acid Formula: C31H42ClNO3 MolecularWeight: 512.12308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=C(C2=C1C=CC(=C2)OC(C)(C)C(=O)O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCCCCCCCCCN1C(=C(C2=C1C=CC(=C2)OC(C)(C)C(=O)O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C31H42ClNO3/c1-5-6-7-8-9-10-11-12-13-14-21-33-23(2)29(24-15-17-25(32)18-16-24)27-22-26(19-20-28(27)33)36-31(3,4)30(34)35/h15-20,22H,5-14,21H2,1-4H3,(H,34,35)