methyl 3-[2-[3-[6-(aminocarbonylamino)hexanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[6-(aminocarbonylamino)hexanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(6-ureidohexanoylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[6-(carbamoylamino)-1-oxohexyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[6-(carbamoylamino)hexanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(6-ureidohexanoylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCCCNC(=O)N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C23H25N3O4/c1-30-22(28)19-9-5-7-17(15-19)12-13-18-8-6-10-20(16-18)26-21(27)11-3-2-4-14-25-23(24)29/h5-10,15-16H,2-4,11,14H2,1H3,(H,26,27)(H3,24,25,29)