4-nitrooxybutyl 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanoate

Systemtic Name: 4-nitrooxybutyl 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanoate Openeye Name: 4-nitrooxybutyl 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetate CAS Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]acetic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate Traditional Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]acetic acid 4-nitrooxybutyl ester Formula: C25H32ClN3O6 MolecularWeight: 505.99108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOCC(=O)OCCCCO[N+](=O)[O-])C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CCOCC(=O)OCCCCO[N+](=O)[O-])C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H32ClN3O6/c26-23-10-8-22(9-11-23)25(21-6-2-1-3-7-21)28-14-12-27(13-15-28)16-19-33-20-24(30)34-17-4-5-18-35-29(31)32/h1-3,6-11,25H,4-5,12-20H2