methyl 4-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-4-oxo-butanoate CAS Name: 4-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-4-oxobutanoate Traditional Name: 4-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-4-keto-butyric acid methyl ester Formula: C30H38ClNO3 MolecularWeight: 496.08062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38ClNO3/c1-35-30(34)23-22-29(33)26-16-20-28(21-17-26)32-24-12-10-8-6-4-2-3-5-7-9-11-13-25-14-18-27(31)19-15-25/h14-21,32H,2-10,12,22-24H2,1H3