methyl 4-[4-[4-(4-oct-7-enylpiperazin-1-yl)phenyl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[4-(4-oct-7-enylpiperazin-1-yl)phenyl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[4-(4-oct-7-enylpiperazin-1-yl)phenyl]piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-[4-(4-oct-7-enyl-1-piperazinyl)phenyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(4-oct-7-enylpiperazin-1-yl)phenyl]piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[4-(4-oct-7-enylpiperazino)phenyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C31H42N4O3 MolecularWeight: 518.69018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)N4CCN(CC4)CCCCCCC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)N4CCN(CC4)CCCCCCC=C

InChI

InChI=1S/C31H42N4O3/c1-3-4-5-6-7-8-17-32-18-20-33(21-19-32)28-13-15-29(16-14-28)34-22-24-35(25-23-34)30(36)26-9-11-27(12-10-26)31(37)38-2/h3,9-16H,1,4-8,17-25H2,2H3