2-[[acetamido(phenyl)methylidene]amino]-N-(1-cyano-2-phenylmethoxy-ethyl)-3-cyclohexyl-propanamide

Systemtic Name: 2-[[acetamido(phenyl)methylidene]amino]-N-(1-cyano-2-phenylmethoxy-ethyl)-3-cyclohexyl-propanamide Openeye Name: 2-[[acetamido(phenyl)methylene]amino]-N-(2-benzyloxy-1-cyano-ethyl)-3-cyclohexyl-propanamide CAS Name: 2-[[acetamido(phenyl)methylidene]amino]-N-(1-cyano-2-phenylmethoxyethyl)-3-cyclohexylpropanamide IUPAC Name: 2-[[acetamido(phenyl)methylidene]amino]-N-(1-cyano-2-phenylmethoxyethyl)-3-cyclohexylpropanamide Traditional Name: 2-[[acetamido(phenyl)methylene]amino]-N-(2-benzoxy-1-cyano-ethyl)-3-cyclohexyl-propionamide Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=NC(CC1CCCCC1)C(=O)NC(COCC2=CC=CC=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(=NC(CC1CCCCC1)C(=O)NC(COCC2=CC=CC=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C28H34N4O3/c1-21(33)30-27(24-15-9-4-10-16-24)32-26(17-22-11-5-2-6-12-22)28(34)31-25(18-29)20-35-19-23-13-7-3-8-14-23/h3-4,7-10,13-16,22,25-26H,2,5-6,11-12,17,19-20H2,1H3,(H,31,34)(H,30,32,33)