tert-butyl 5-bromanyl-2-[(E)-1-ethoxy-5-oxidanyl-1-oxidanylidene-5-phenyl-pent-2-en-3-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-2-[(E)-1-ethoxy-5-oxidanyl-1-oxidanylidene-5-phenyl-pent-2-en-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 5-bromo-2-[(E)-3-ethoxy-1-(2-hydroxy-2-phenyl-ethyl)-3-oxo-prop-1-enyl]indole-1-carboxylate CAS Name: 5-bromo-2-[(E)-1-ethoxy-5-hydroxy-1-oxo-5-phenylpent-2-en-3-yl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-2-[(E)-1-ethoxy-5-hydroxy-1-oxo-5-phenylpent-2-en-3-yl]indole-1-carboxylate Traditional Name: 5-bromo-2-[(E)-3-ethoxy-1-(2-hydroxy-2-phenyl-ethyl)-3-keto-prop-1-enyl]indole-1-carboxylic acid tert-butyl ester Formula: C26H28BrNO5 MolecularWeight: 514.40822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(CC(C1=CC=CC=C1)O)C2=CC3=C(N2C(=O)OC(C)(C)C)C=CC(=C3)Br

Isomeric SMILES

CCOC(=O)/C=C(\CC(C1=CC=CC=C1)O)/C2=CC3=C(N2C(=O)OC(C)(C)C)C=CC(=C3)Br

InChI

InChI=1S/C26H28BrNO5/c1-5-32-24(30)16-19(15-23(29)17-9-7-6-8-10-17)22-14-18-13-20(27)11-12-21(18)28(22)25(31)33-26(2,3)4/h6-14,16,23,29H,5,15H2,1-4H3/b19-16+