4-[[18-(4-chlorophenyl)-17-methyl-octadec-15-ynyl]amino]benzoic acid

Systemtic Name: 4-[[18-(4-chlorophenyl)-17-methyl-octadec-15-ynyl]amino]benzoic acid Openeye Name: 4-[[18-(4-chlorophenyl)-17-methyl-octadec-15-ynyl]amino]benzoic acid CAS Name: 4-[[18-(4-chlorophenyl)-17-methyloctadec-15-ynyl]amino]benzoic acid IUPAC Name: 4-[[18-(4-chlorophenyl)-17-methyloctadec-15-ynyl]amino]benzoic acid Traditional Name: 4-[[18-(4-chlorophenyl)-17-methyl-octadec-15-ynyl]amino]benzoic acid Formula: C32H44ClNO2 MolecularWeight: 510.15026

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)Cl)C#CCCCCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)Cl)C#CCCCCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C32H44ClNO2/c1-27(26-28-17-21-30(33)22-18-28)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-25-34-31-23-19-29(20-24-31)32(35)36/h17-24,27,34H,2-13,15,25-26H2,1H3,(H,35,36)