ethyl 4-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-[4-(4-hydroxyphenyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-[4-(4-hydroxyphenyl)piperazino]-2,5-diketo-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H23N3O5/c1-2-31-23(30)16-3-5-18(6-4-16)26-21(28)15-20(22(26)29)25-13-11-24(12-14-25)17-7-9-19(27)10-8-17/h3-10,15,27H,2,11-14H2,1H3