ethyl 4-[[18-(4-chlorophenyl)-17-methyl-octadec-15-ynyl]amino]benzoate

Systemtic Name: ethyl 4-[[18-(4-chlorophenyl)-17-methyl-octadec-15-ynyl]amino]benzoate Openeye Name: ethyl 4-[[18-(4-chlorophenyl)-17-methyl-octadec-15-ynyl]amino]benzoate CAS Name: 4-[[18-(4-chlorophenyl)-17-methyloctadec-15-ynyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[18-(4-chlorophenyl)-17-methyloctadec-15-ynyl]amino]benzoate Traditional Name: 4-[[18-(4-chlorophenyl)-17-methyl-octadec-15-ynyl]amino]benzoic acid ethyl ester Formula: C34H48ClNO2 MolecularWeight: 538.20342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCC#CC(C)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCC#CC(C)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C34H48ClNO2/c1-3-38-34(37)31-21-25-33(26-22-31)36-27-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-29(2)28-30-19-23-32(35)24-20-30/h19-26,29,36H,3-15,17,27-28H2,1-2H3