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

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylcarbonylamino)-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-(4-benzylpiperazin-1-yl)benzoate CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxole-5-carbonylamino)-4-(4-benzylpiperazin-1-yl)benzoate Traditional Name: 4-(4-benzylpiperazino)-3-(piperonyloylamino)benzoic acid ethyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H29N3O5/c1-2-34-28(33)22-8-10-24(31-14-12-30(13-15-31)18-20-6-4-3-5-7-20)23(16-22)29-27(32)21-9-11-25-26(17-21)36-19-35-25/h3-11,16-17H,2,12-15,18-19H2,1H3,(H,29,32)