2-[4-[[8-(4-chlorophenyl)-7-methyl-oct-5-ynyl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[8-(4-chlorophenyl)-7-methyl-oct-5-ynyl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[8-(4-chlorophenyl)-7-methyl-oct-5-ynyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[8-(4-chlorophenyl)-7-methyloct-5-ynyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[8-(4-chlorophenyl)-7-methyloct-5-ynyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[8-(4-chlorophenyl)-7-methyl-oct-5-ynyl]amino]phenyl]acetic acid Formula: C23H26ClNO2 MolecularWeight: 383.91104

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)Cl)C#CCCCCNC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)Cl)C#CCCCCNC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C23H26ClNO2/c1-18(16-19-7-11-21(24)12-8-19)6-4-2-3-5-15-25-22-13-9-20(10-14-22)17-23(26)27/h7-14,18,25H,2-3,5,15-17H2,1H3,(H,26,27)