3-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]carbonylpentane-2,4-dione

Systemtic Name: 3-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]carbonylpentane-2,4-dione Openeye Name: 3-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]pentane-2,4-dione CAS Name: 3-[[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-oxomethyl]pentane-2,4-dione IUPAC Name: 3-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]pentane-2,4-dione Traditional Name: 3-[4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl]pentane-2,4-dione Formula: C31H38ClNO3 MolecularWeight: 508.09132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38ClNO3/c1-24(34)30(25(2)35)31(36)27-17-21-29(22-18-27)33-23-13-11-9-7-5-3-4-6-8-10-12-14-26-15-19-28(32)20-16-26/h15-22,30,33H,3-11,13,23H2,1-2H3