2-ethylheptanoyl 4-(4-phenylpiperazin-1-yl)benzoate

Systemtic Name: 2-ethylheptanoyl 4-(4-phenylpiperazin-1-yl)benzoate Openeye Name: 2-ethylheptanoyl 4-(4-phenylpiperazin-1-yl)benzoate CAS Name: 4-(4-phenyl-1-piperazinyl)benzoic acid (2-ethyl-1-oxoheptyl) ester IUPAC Name: 2-ethylheptanoyl 4-(4-phenylpiperazin-1-yl)benzoate Traditional Name: 4-(4-phenylpiperazino)benzoic acid 2-ethylheptanoyl ester Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(=O)OC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC(CC)C(=O)OC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C26H34N2O3/c1-3-5-7-10-21(4-2)25(29)31-26(30)22-13-15-24(16-14-22)28-19-17-27(18-20-28)23-11-8-6-9-12-23/h6,8-9,11-16,21H,3-5,7,10,17-20H2,1-2H3