[(4-carbonochloridoylphenyl)-[13-(4-chlorophenyl)tridec-12-ynyl]carbamoyl] benzoate

Systemtic Name: [(4-carbonochloridoylphenyl)-[13-(4-chlorophenyl)tridec-12-ynyl]carbamoyl] benzoate Openeye Name: [(4-chlorocarbonylphenyl)-[13-(4-chlorophenyl)tridec-12-ynyl]carbamoyl] benzoate CAS Name: benzoic acid [[4-carbonochloridoyl-N-[13-(4-chlorophenyl)tridec-12-ynyl]anilino]-oxomethyl] ester IUPAC Name: [(4-carbonochloridoylphenyl)-[13-(4-chlorophenyl)tridec-12-ynyl]carbamoyl] benzoate Traditional Name: benzoic acid [(4-chlorocarbonylphenyl)-[13-(4-chlorophenyl)tridec-12-ynyl]carbamoyl] ester Formula: C34H35Cl2NO4 MolecularWeight: 592.552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(=O)N(CCCCCCCCCCCC#CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(=O)N(CCCCCCCCCCCC#CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)Cl

InChI

InChI=1S/C34H35Cl2NO4/c35-30-22-18-27(19-23-30)15-11-8-6-4-2-1-3-5-7-9-14-26-37(31-24-20-28(21-25-31)32(36)38)34(40)41-33(39)29-16-12-10-13-17-29/h10,12-13,16-25H,1-9,14,26H2