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

Systemtic Name: (1-methoxy-1-oxidanylidene-butan-2-yl) 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Openeye Name: 1-methoxycarbonylpropyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate CAS Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid (1-methoxy-1-oxobutan-2-yl) ester IUPAC Name: (1-methoxy-1-oxobutan-2-yl) 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Traditional Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoic acid 1-carbomethoxypropyl ester Formula: C31H40ClNO4 MolecularWeight: 526.1066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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