ethyl 3-(1,3-benzodioxol-5-ylcarbonylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylcarbonylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-(4-benzoylpiperazin-1-yl)benzoate CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(4-benzoyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-(4-benzoylpiperazin-1-yl)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(piperonyloylamino)benzoic acid ethyl ester Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H27N3O6/c1-2-35-28(34)21-8-10-23(30-12-14-31(15-13-30)27(33)19-6-4-3-5-7-19)22(16-21)29-26(32)20-9-11-24-25(17-20)37-18-36-24/h3-11,16-17H,2,12-15,18H2,1H3,(H,29,32)