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

Systemtic Name: 5-[[5-[1-[(4-cyanophenyl)amino]-2-methoxy-2-oxidanylidene-ethyl]-2-methoxy-phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[5-[1-(4-cyanoanilino)-2-methoxy-2-oxo-ethyl]-2-methoxy-anilino]-5-oxo-pentanoic acid CAS Name: 5-[5-[1-(4-cyanoanilino)-2-methoxy-2-oxoethyl]-2-methoxyanilino]-5-oxopentanoic acid IUPAC Name: 5-[5-[1-(4-cyanoanilino)-2-methoxy-2-oxoethyl]-2-methoxyanilino]-5-oxopentanoic acid Traditional Name: 5-[5-[1-(4-cyanoanilino)-2-keto-2-methoxy-ethyl]-2-methoxy-anilino]-5-keto-valeric acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-30-18-11-8-15(12-17(18)25-19(26)4-3-5-20(27)28)21(22(29)31-2)24-16-9-6-14(13-23)7-10-16/h6-12,21,24H,3-5H2,1-2H3,(H,25,26)(H,27,28)