5-[[5-[1-[(4-cyanophenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-2-methoxy-phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[5-[1-[(4-cyanophenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-2-methoxy-phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[5-[1-(4-cyanoanilino)-2-hydroxy-2-oxo-ethyl]-2-methoxy-anilino]-5-oxo-pentanoic acid CAS Name: 5-[5-[1-(4-cyanoanilino)-2-hydroxy-2-oxoethyl]-2-methoxyanilino]-5-oxopentanoic acid IUPAC Name: 5-[5-[1-(4-cyanoanilino)-2-hydroxy-2-oxoethyl]-2-methoxyanilino]-5-oxopentanoic acid Traditional Name: 5-[5-[1-(4-cyanoanilino)-2-hydroxy-2-keto-ethyl]-2-methoxy-anilino]-5-keto-valeric acid Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)NC(=O)CCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)NC(=O)CCCC(=O)O

InChI

InChI=1S/C21H21N3O6/c1-30-17-10-7-14(11-16(17)24-18(25)3-2-4-19(26)27)20(21(28)29)23-15-8-5-13(12-22)6-9-15/h5-11,20,23H,2-4H2,1H3,(H,24,25)(H,26,27)(H,28,29)