methyl 4-[[[4-(4-methylidenecyclohexyl)-2-piperazin-1-yl-phenyl]carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[[4-(4-methylidenecyclohexyl)-2-piperazin-1-yl-phenyl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[4-(4-methylenecyclohexyl)-2-piperazin-1-yl-benzoyl]amino]carbamoyl]benzoate CAS Name: 4-[[[[4-(4-methylenecyclohexyl)-2-(1-piperazinyl)phenyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(4-methylidenecyclohexyl)-2-piperazin-1-ylbenzoyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[4-(4-methylenecyclohexyl)-2-piperazino-benzoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=C(C=C2)C3CCC(=C)CC3)N4CCNCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=C(C=C2)C3CCC(=C)CC3)N4CCNCC4

InChI

InChI=1S/C27H32N4O4/c1-18-3-5-19(6-4-18)22-11-12-23(24(17-22)31-15-13-28-14-16-31)26(33)30-29-25(32)20-7-9-21(10-8-20)27(34)35-2/h7-12,17,19,28H,1,3-6,13-16H2,2H3,(H,29,32)(H,30,33)