ethyl 4-[[5-azanyl-4-bromanyl-2-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[5-azanyl-4-bromanyl-2-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[5-amino-4-bromo-2-[(3-chloro-4-methoxy-phenyl)methylcarbamoyl]phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[5-amino-4-bromo-2-[[(3-chloro-4-methoxyphenyl)methylamino]-oxomethyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-amino-4-bromo-2-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[5-amino-4-bromo-2-[(3-chloro-4-methoxy-benzyl)carbamoyl]phenyl]carbamoyl]cyclohexanecarboxylic acid ethyl ester Formula: C25H29BrClN3O5 MolecularWeight: 566.87186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C(=O)NC2=CC(=C(C=C2C(=O)NCC3=CC(=C(C=C3)OC)Cl)Br)N

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C(=O)NC2=CC(=C(C=C2C(=O)NCC3=CC(=C(C=C3)OC)Cl)Br)N

InChI

InChI=1S/C25H29BrClN3O5/c1-3-35-25(33)16-7-5-15(6-8-16)23(31)30-21-12-20(28)18(26)11-17(21)24(32)29-13-14-4-9-22(34-2)19(27)10-14/h4,9-12,15-16H,3,5-8,13,28H2,1-2H3,(H,29,32)(H,30,31)