ethyl 3-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[[5-nitro-2-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 3-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(5-nitro-2-piperidino-benzoyl)amino]benzoic acid ethyl ester Formula: C32H37N5O5 MolecularWeight: 571.66668

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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=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5

InChI

InChI=1S/C32H37N5O5/c1-2-42-32(39)25-11-13-30(36-19-17-34(18-20-36)23-24-9-5-3-6-10-24)28(21-25)33-31(38)27-22-26(37(40)41)12-14-29(27)35-15-7-4-8-16-35/h3,5-6,9-14,21-22H,2,4,7-8,15-20,23H2,1H3,(H,33,38)