methyl 4-(1-piperazin-1-ylheptadecyl)benzoate

Systemtic Name: methyl 4-(1-piperazin-1-ylheptadecyl)benzoate Openeye Name: methyl 4-(1-piperazin-1-ylheptadecyl)benzoate CAS Name: 4-[1-(1-piperazinyl)heptadecyl]benzoic acid methyl ester IUPAC Name: methyl 4-(1-piperazin-1-ylheptadecyl)benzoate Traditional Name: 4-(1-piperazinoheptadecyl)benzoic acid methyl ester Formula: C29H50N2O2 MolecularWeight: 458.7195

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=CC=C(C=C1)C(=O)OC)N2CCNCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=CC=C(C=C1)C(=O)OC)N2CCNCC2

InChI

InChI=1S/C29H50N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(31-24-22-30-23-25-31)26-18-20-27(21-19-26)29(32)33-2/h18-21,28,30H,3-17,22-25H2,1-2H3