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

Systemtic Name: methyl 4-[[[4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[4-[4-(cyclohexylmethyl)piperazin-1-yl]benzoyl]amino]carbamoyl]benzoate CAS Name: 4-[[[[4-[4-(cyclohexylmethyl)-1-piperazinyl]phenyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-[4-(cyclohexylmethyl)piperazin-1-yl]benzoyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[4-[4-(cyclohexylmethyl)piperazino]benzoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)N3CCN(CC3)CC4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)N3CCN(CC3)CC4CCCCC4

InChI

InChI=1S/C27H34N4O4/c1-35-27(34)23-9-7-21(8-10-23)25(32)28-29-26(33)22-11-13-24(14-12-22)31-17-15-30(16-18-31)19-20-5-3-2-4-6-20/h7-14,20H,2-6,15-19H2,1H3,(H,28,32)(H,29,33)