ethyl 4-[4-[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enoyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)acryloyl]piperazino]benzoic acid ethyl ester Formula: C30H40N2O4 MolecularWeight: 492.6496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C30H40N2O4/c1-8-36-28(35)22-10-12-23(13-11-22)31-15-17-32(18-16-31)26(33)14-9-21-19-24(29(2,3)4)27(34)25(20-21)30(5,6)7/h9-14,19-20,34H,8,15-18H2,1-7H3/b14-9+