2-(4-phenylpiperazin-1-yl)ethyl 1-(4-nitrophenyl)cyclopentane-1-carboxylate hydrochloride

Systemtic Name: 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-nitrophenyl)cyclopentane-1-carboxylate hydrochloride Openeye Name: 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-nitrophenyl)cyclopentanecarboxylate hydrochloride CAS Name: 1-(4-nitrophenyl)-1-cyclopentanecarboxylic acid 2-(4-phenyl-1-piperazinyl)ethyl ester hydrochloride IUPAC Name: 2-(4-phenylpiperazin-1-yl)ethyl 1-(4-nitrophenyl)cyclopentane-1-carboxylate hydrochloride Traditional Name: 1-(4-nitrophenyl)cyclopentanecarboxylic acid 2-(4-phenylpiperazino)ethyl ester hydrochloride Formula: C24H30ClN3O4 MolecularWeight: 459.9657

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCN3CCN(CC3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CCC(C1)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCN3CCN(CC3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C24H29N3O4.ClH/c28-23(24(12-4-5-13-24)20-8-10-22(11-9-20)27(29)30)31-19-18-25-14-16-26(17-15-25)21-6-2-1-3-7-21;/h1-3,6-11H,4-5,12-19H2;1H