methyl 4-oxidanyl-3-[[4-(phenylmethyl)piperazin-1-yl]-(2-prop-2-enoxyphenyl)methyl]benzoate

Systemtic Name: methyl 4-oxidanyl-3-[[4-(phenylmethyl)piperazin-1-yl]-(2-prop-2-enoxyphenyl)methyl]benzoate Openeye Name: methyl 3-[(2-allyloxyphenyl)-(4-benzylpiperazin-1-yl)methyl]-4-hydroxy-benzoate CAS Name: 4-hydroxy-3-[[4-(phenylmethyl)-1-piperazinyl]-(2-prop-2-enoxyphenyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-benzylpiperazin-1-yl)-(2-prop-2-enoxyphenyl)methyl]-4-hydroxybenzoate Traditional Name: 3-[(2-allyloxyphenyl)-(4-benzylpiperazino)methyl]-4-hydroxy-benzoic acid methyl ester Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)O)C(C2=CC=CC=C2OCC=C)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O)C(C2=CC=CC=C2OCC=C)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O4/c1-3-19-35-27-12-8-7-11-24(27)28(25-20-23(29(33)34-2)13-14-26(25)32)31-17-15-30(16-18-31)21-22-9-5-4-6-10-22/h3-14,20,28,32H,1,15-19,21H2,2H3