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

Systemtic Name: ethyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Openeye Name: ethyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate CAS Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Traditional Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid ethyl ester Formula: C28H36ClNO2 MolecularWeight: 454.04394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36ClNO2/c1-2-32-28(31)25-17-21-27(22-18-25)30-23-13-11-9-7-5-3-4-6-8-10-12-14-24-15-19-26(29)20-16-24/h15-22,30H,2-11,13,23H2,1H3