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

Systemtic Name: ethyl 3-[2-(4-nitrophenyl)ethanoylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H30N4O5 MolecularWeight: 502.5616

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

Isomeric SMILES

CCOC(=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/C28H30N4O5/c1-2-37-28(34)23-10-13-26(31-16-14-30(15-17-31)20-22-6-4-3-5-7-22)25(19-23)29-27(33)18-21-8-11-24(12-9-21)32(35)36/h3-13,19H,2,14-18,20H2,1H3,(H,29,33)