methyl 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazino]methyl]benzoic acid methyl ester Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(C(C2)CCO)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(C(C2)CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O3/c1-29-24(28)22-11-9-21(10-12-22)18-25-15-16-26(23(19-25)13-17-27)14-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,23,27H,5,8,13-19H2,1H3