methyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazino]methyl]benzoic acid methyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1CCN(CC1CCO)CC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC(=CCN1CCN(C[C@@H]1CCO)CC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C20H30N2O3/c1-16(2)8-10-22-12-11-21(15-19(22)9-13-23)14-17-4-6-18(7-5-17)20(24)25-3/h4-8,19,23H,9-15H2,1-3H3/t19-/m0/s1