4-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-4-keto-butyric acid Formula: C29H36ClNO3 MolecularWeight: 482.05404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)CCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C29H36ClNO3/c30-26-17-13-24(14-18-26)12-10-8-6-4-2-1-3-5-7-9-11-23-31-27-19-15-25(16-20-27)28(32)21-22-29(33)34/h13-20,31H,1-9,11,21-23H2,(H,33,34)