methyl 4-(4-ethylpiperazin-1-yl)-3-[(1-phenylcyclopentyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(1-phenylcyclopentyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(1-phenylcyclopentanecarbonyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[oxo-(1-phenylcyclopentyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(1-phenylcyclopentanecarbonyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid methyl ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3(CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3(CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3/c1-3-28-15-17-29(18-16-28)23-12-11-20(24(30)32-2)19-22(23)27-25(31)26(13-7-8-14-26)21-9-5-4-6-10-21/h4-6,9-12,19H,3,7-8,13-18H2,1-2H3,(H,27,31)