ethyl 3-(1,3-benzodioxol-5-yl)-3-[4-[1-(1,3-benzodioxol-5-yl)-2-cyano-3-ethoxy-3-oxidanylidene-propyl]piperazin-1-yl]-2-cyano-propanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-[4-[1-(1,3-benzodioxol-5-yl)-2-cyano-3-ethoxy-3-oxidanylidene-propyl]piperazin-1-yl]-2-cyano-propanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-[4-[1-(1,3-benzodioxol-5-yl)-2-cyano-3-ethoxy-3-oxo-propyl]piperazin-1-yl]-2-cyano-propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[4-[1-(1,3-benzodioxol-5-yl)-2-cyano-3-ethoxy-3-oxopropyl]-1-piperazinyl]-2-cyanopropanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-[4-[1-(1,3-benzodioxol-5-yl)-2-cyano-3-ethoxy-3-oxopropyl]piperazin-1-yl]-2-cyanopropanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[4-[1-(1,3-benzodioxol-5-yl)-2-cyano-3-ethoxy-3-keto-propyl]piperazino]-2-cyano-propionic acid ethyl ester Formula: C30H32N4O8 MolecularWeight: 576.59708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C(C4=CC5=C(C=C4)OCO5)C(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C#N)C(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C(C4=CC5=C(C=C4)OCO5)C(C#N)C(=O)OCC

InChI

InChI=1S/C30H32N4O8/c1-3-37-29(35)21(15-31)27(19-5-7-23-25(13-19)41-17-39-23)33-9-11-34(12-10-33)28(22(16-32)30(36)38-4-2)20-6-8-24-26(14-20)42-18-40-24/h5-8,13-14,21-22,27-28H,3-4,9-12,17-18H2,1-2H3