methyl 3-[2-[3-[5-(aminocarbonylamino)pentanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[5-(aminocarbonylamino)pentanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(5-ureidopentanoylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[5-(carbamoylamino)-1-oxopentyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[5-(carbamoylamino)pentanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(5-ureidopentanoylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-29-21(27)18-8-4-6-16(14-18)11-12-17-7-5-9-19(15-17)25-20(26)10-2-3-13-24-22(23)28/h4-9,14-15H,2-3,10,13H2,1H3,(H,25,26)(H3,23,24,28)