ethyl 2-[[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]amino]-2-oxo-acetate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]amino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]amino]-2-oxoacetate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]amino]-2-keto-acetic acid ethyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NCC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(=O)NCC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O5/c1-2-29-23(28)22(27)24-15-19(17-8-9-20-21(14-17)31-16-30-20)26-12-10-25(11-13-26)18-6-4-3-5-7-18/h3-9,14,19H,2,10-13,15-16H2,1H3,(H,24,27)