methyl 3-[4-[[(4-cyanophenyl)-(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]propanoate

Systemtic Name: methyl 3-[4-[[(4-cyanophenyl)-(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[[(4-cyanophenyl)-(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]propanoate CAS Name: 3-[4-[[[4-cyano-N-(2-hydroxyethyl)anilino]-oxomethyl]amino]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[(4-cyanophenyl)-(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]propanoate Traditional Name: 3-[4-[[(4-cyanophenyl)-(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]propionic acid methyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCC(CC1)NC(=O)N(CCO)C2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)CCC1CCC(CC1)NC(=O)N(CCO)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H27N3O4/c1-27-19(25)11-6-15-2-7-17(8-3-15)22-20(26)23(12-13-24)18-9-4-16(14-21)5-10-18/h4-5,9-10,15,17,24H,2-3,6-8,11-13H2,1H3,(H,22,26)