2-[4-[2-(4-nonylphenyl)carbonyloxyethyl]piperazin-1-yl]ethyl 4-nonylbenzoate

Systemtic Name: 2-[4-[2-(4-nonylphenyl)carbonyloxyethyl]piperazin-1-yl]ethyl 4-nonylbenzoate Openeye Name: 2-[4-[2-(4-nonylbenzoyl)oxyethyl]piperazin-1-yl]ethyl 4-nonylbenzoate CAS Name: 4-nonylbenzoic acid 2-[4-[2-[(4-nonylphenyl)-oxomethoxy]ethyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[2-(4-nonylbenzoyl)oxyethyl]piperazin-1-yl]ethyl 4-nonylbenzoate Traditional Name: 4-nonylbenzoic acid 2-[4-[2-(4-nonylbenzoyl)oxyethyl]piperazino]ethyl ester Formula: C40H62N2O4 MolecularWeight: 634.93128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(=O)OCCN2CCN(CC2)CCOC(=O)C3=CC=C(C=C3)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(=O)OCCN2CCN(CC2)CCOC(=O)C3=CC=C(C=C3)CCCCCCCCC

InChI

InChI=1S/C40H62N2O4/c1-3-5-7-9-11-13-15-17-35-19-23-37(24-20-35)39(43)45-33-31-41-27-29-42(30-28-41)32-34-46-40(44)38-25-21-36(22-26-38)18-16-14-12-10-8-6-4-2/h19-26H,3-18,27-34H2,1-2H3