methyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate

Systemtic Name: methyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Openeye Name: methyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate CAS Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Traditional Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid methyl ester Formula: C27H34ClNO2 MolecularWeight: 440.01736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C27H34ClNO2/c1-31-27(30)24-16-20-26(21-17-24)29-22-12-10-8-6-4-2-3-5-7-9-11-13-23-14-18-25(28)19-15-23/h14-21,29H,2-10,12,22H2,1H3