ethyl 2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]benzoate

Systemtic Name: ethyl 2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]benzoate Openeye Name: ethyl 2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-hydroxy-propyl]-3-methyl-piperazin-1-yl]benzoate CAS Name: 2-[4-[1-(2-tert-butyl-4-methoxyphenyl)-2-hydroxypropyl]-3-methyl-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[1-(2-tert-butyl-4-methoxyphenyl)-2-hydroxypropyl]-3-methylpiperazin-1-yl]benzoate Traditional Name: 2-[4-[1-(2-tert-butyl-4-methoxy-phenyl)-2-hydroxy-propyl]-3-methyl-piperazino]benzoic acid ethyl ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2CCN(C(C2)C)C(C3=C(C=C(C=C3)OC)C(C)(C)C)C(C)O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2CCN(C(C2)C)C(C3=C(C=C(C=C3)OC)C(C)(C)C)C(C)O

InChI

InChI=1S/C28H40N2O4/c1-8-34-27(32)23-11-9-10-12-25(23)29-15-16-30(19(2)18-29)26(20(3)31)22-14-13-21(33-7)17-24(22)28(4,5)6/h9-14,17,19-20,26,31H,8,15-16,18H2,1-7H3