methyl 3-[2-(4-nitrophenyl)ethanoylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[2-(4-nitrophenyl)ethanoylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-nitrophenyl)acetyl]amino]benzoate CAS Name: 3-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[[2-(4-nitrophenyl)acetyl]amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[[2-(4-nitrophenyl)acetyl]amino]benzoic acid methyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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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)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O5/c1-36-27(33)22-9-12-25(30-15-13-29(14-16-30)19-21-5-3-2-4-6-21)24(18-22)28-26(32)17-20-7-10-23(11-8-20)31(34)35/h2-12,18H,13-17,19H2,1H3,(H,28,32)