(1-ethoxy-1-oxidanylidene-propan-2-yl) 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate

Systemtic Name: (1-ethoxy-1-oxidanylidene-propan-2-yl) 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Openeye Name: (2-ethoxy-1-methyl-2-oxo-ethyl) 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate CAS Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid (1-ethoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-1-oxopropan-2-yl) 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Traditional Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid (2-ethoxy-2-keto-1-methyl-ethyl) ester Formula: C31H40ClNO4 MolecularWeight: 526.1066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC(=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/C31H40ClNO4/c1-3-36-30(34)25(2)37-31(35)27-18-22-29(23-19-27)33-24-14-12-10-8-6-4-5-7-9-11-13-15-26-16-20-28(32)21-17-26/h16-23,25,33H,3-12,14,24H2,1-2H3