4-[(4-cyanophenyl)carbonylamino]-5-(2-methoxyethoxymethoxy)-2-(2-methoxyethoxymethyl)pentanoic acid

Systemtic Name: 4-[(4-cyanophenyl)carbonylamino]-5-(2-methoxyethoxymethoxy)-2-(2-methoxyethoxymethyl)pentanoic acid Openeye Name: 4-[(4-cyanobenzoyl)amino]-5-(2-methoxyethoxymethoxy)-2-(2-methoxyethoxymethyl)pentanoic acid CAS Name: 4-[[(4-cyanophenyl)-oxomethyl]amino]-5-(2-methoxyethoxymethoxy)-2-(2-methoxyethoxymethyl)pentanoic acid IUPAC Name: 4-[(4-cyanobenzoyl)amino]-5-(2-methoxyethoxymethoxy)-2-(2-methoxyethoxymethyl)pentanoic acid Traditional Name: 4-[(4-cyanobenzoyl)amino]-5-(2-methoxyethoxymethoxy)-2-(2-methoxyethoxymethyl)valeric acid Formula: C21H30N2O8 MolecularWeight: 438.4715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOCC(CC(COCOCCOC)NC(=O)C1=CC=C(C=C1)C#N)C(=O)O

Isomeric SMILES

COCCOCC(CC(COCOCCOC)NC(=O)C1=CC=C(C=C1)C#N)C(=O)O

InChI

InChI=1S/C21H30N2O8/c1-27-7-9-29-13-18(21(25)26)11-19(14-31-15-30-10-8-28-2)23-20(24)17-5-3-16(12-22)4-6-17/h3-6,18-19H,7-11,13-15H2,1-2H3,(H,23,24)(H,25,26)