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

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylcarbonylamino)-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-(1,3-benzodioxole-5-carbonylamino)-4-(4-benzylpiperazin-1-yl)benzoate Traditional Name: 4-(4-benzylpiperazino)-3-(piperonyloylamino)benzoic acid methyl ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O5/c1-33-27(32)21-7-9-23(30-13-11-29(12-14-30)17-19-5-3-2-4-6-19)22(15-21)28-26(31)20-8-10-24-25(16-20)35-18-34-24/h2-10,15-16H,11-14,17-18H2,1H3,(H,28,31)