hexan-2-yl 4-[4-(4-hexan-2-yloxycarbonylphenyl)piperazin-1-yl]benzoate

Systemtic Name: hexan-2-yl 4-[4-(4-hexan-2-yloxycarbonylphenyl)piperazin-1-yl]benzoate Openeye Name: 1-methylpentyl 4-[4-[4-(1-methylpentoxycarbonyl)phenyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[4-[hexan-2-yloxy(oxo)methyl]phenyl]-1-piperazinyl]benzoic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 4-[4-(4-hexan-2-yloxycarbonylphenyl)piperazin-1-yl]benzoate Traditional Name: 4-[4-[4-(1-methylpentoxycarbonyl)phenyl]piperazino]benzoic acid 1-methylpentyl ester Formula: C30H42N2O4 MolecularWeight: 494.66548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OC(C)CCCC

Isomeric SMILES

CCCCC(C)OC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OC(C)CCCC

InChI

InChI=1S/C30H42N2O4/c1-5-7-9-23(3)35-29(33)25-11-15-27(16-12-25)31-19-21-32(22-20-31)28-17-13-26(14-18-28)30(34)36-24(4)10-8-6-2/h11-18,23-24H,5-10,19-22H2,1-4H3