[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl] 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate

Systemtic Name: [(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl] 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Openeye Name: [(E)-3-ethoxy-3-oxo-prop-1-enyl] 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate CAS Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid [(E)-3-ethoxy-3-oxoprop-1-enyl] ester IUPAC Name: [(E)-3-ethoxy-3-oxoprop-1-enyl] 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Traditional Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid [(E)-3-ethoxy-3-keto-prop-1-enyl] ester Formula: C31H38ClNO4 MolecularWeight: 524.09072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38ClNO4/c1-2-36-30(34)23-25-37-31(35)27-17-21-29(22-18-27)33-24-13-11-9-7-5-3-4-6-8-10-12-14-26-15-19-28(32)20-16-26/h15-23,25,33H,2-11,13,24H2,1H3/b25-23+