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

Systemtic Name: methyl 4-[[[4-[4-(4-phenylcyclohexyl)piperazin-1-yl]phenyl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[4-[4-(4-phenylcyclohexyl)piperazin-1-yl]benzoyl]amino]carbamoyl]benzoate CAS Name: 4-[oxo-[[oxo-[4-[4-(4-phenylcyclohexyl)-1-piperazinyl]phenyl]methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-[4-(4-phenylcyclohexyl)piperazin-1-yl]benzoyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[4-[4-(4-phenylcyclohexyl)piperazino]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)N3CCN(CC3)C4CCC(CC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)N3CCN(CC3)C4CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C32H36N4O4/c1-40-32(39)27-9-7-25(8-10-27)30(37)33-34-31(38)26-13-17-29(18-14-26)36-21-19-35(20-22-36)28-15-11-24(12-16-28)23-5-3-2-4-6-23/h2-10,13-14,17-18,24,28H,11-12,15-16,19-22H2,1H3,(H,33,37)(H,34,38)