ethyl 4-[4-[4-(7-methoxyheptoxy)-3,5-dimethyl-phenyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[4-(7-methoxyheptoxy)-3,5-dimethyl-phenyl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[4-(7-methoxyheptoxy)-3,5-dimethyl-phenyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[4-(7-methoxyheptoxy)-3,5-dimethylphenyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(7-methoxyheptoxy)-3,5-dimethylphenyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[4-(7-methoxyheptoxy)-3,5-dimethyl-phenyl]piperazino]benzoic acid ethyl ester Formula: C29H42N2O4 MolecularWeight: 482.65478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC(=C(C(=C3)C)OCCCCCCCOC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC(=C(C(=C3)C)OCCCCCCCOC)C

InChI

InChI=1S/C29H42N2O4/c1-5-34-29(32)25-11-13-26(14-12-25)30-15-17-31(18-16-30)27-21-23(2)28(24(3)22-27)35-20-10-8-6-7-9-19-33-4/h11-14,21-22H,5-10,15-20H2,1-4H3