ethyl 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]amino]acetate CAS Name: 2-[[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]amino]acetate Traditional Name: 2-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]amino]acetic acid ethyl ester Formula: C30H39ClN2O3 MolecularWeight: 511.09526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39ClN2O3/c1-2-36-29(34)24-33-30(35)26-17-21-28(22-18-26)32-23-13-11-9-7-5-3-4-6-8-10-12-14-25-15-19-27(31)20-16-25/h15-22,32H,2-11,13,23-24H2,1H3,(H,33,35)