ethyl 5-[(2-iodanylphenyl)methoxy]-1-[2-oxidanylidene-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[(2-iodanylphenyl)methoxy]-1-[2-oxidanylidene-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[2-[(2-benzyloxycyclohexyl)amino]-2-oxo-ethyl]-5-[(2-iodophenyl)methoxy]pyrazole-3-carboxylate CAS Name: 5-[(2-iodophenyl)methoxy]-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-iodophenyl)methoxy]-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-[(2-benzoxycyclohexyl)amino]-2-keto-ethyl]-5-(2-iodobenzyl)oxy-pyrazole-3-carboxylic acid ethyl ester Formula: C28H32IN3O5 MolecularWeight: 617.47525

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)OCC2=CC=CC=C2I)CC(=O)NC3CCCCC3OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)OCC2=CC=CC=C2I)CC(=O)NC3CCCCC3OCC4=CC=CC=C4

InChI

InChI=1S/C28H32IN3O5/c1-2-35-28(34)24-16-27(37-19-21-12-6-7-13-22(21)29)32(31-24)17-26(33)30-23-14-8-9-15-25(23)36-18-20-10-4-3-5-11-20/h3-7,10-13,16,23,25H,2,8-9,14-15,17-19H2,1H3,(H,30,33)