methyl 4-[[[4-[4-(4-cyclohexylpiperazin-1-yl)phenyl]phenyl]carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[[4-[4-(4-cyclohexylpiperazin-1-yl)phenyl]phenyl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[4-[4-(4-cyclohexylpiperazin-1-yl)phenyl]benzoyl]amino]carbamoyl]benzoate CAS Name: 4-[[[[4-[4-(4-cyclohexyl-1-piperazinyl)phenyl]phenyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-[4-(4-cyclohexylpiperazin-1-yl)phenyl]benzoyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[4-[4-(4-cyclohexylpiperazino)phenyl]benzoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C32H36N4O4/c1-40-32(39)27-13-11-26(12-14-27)31(38)34-33-30(37)25-9-7-23(8-10-25)24-15-17-29(18-16-24)36-21-19-35(20-22-36)28-5-3-2-4-6-28/h7-18,28H,2-6,19-22H2,1H3,(H,33,37)(H,34,38)