tert-butyl (E)-4-[3-[(2,4-dimethoxyphenyl)carbamoyl]indol-1-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: tert-butyl (E)-4-[3-[(2,4-dimethoxyphenyl)carbamoyl]indol-1-yl]-4-oxidanylidene-but-2-enoate Openeye Name: tert-butyl (E)-4-[3-[(2,4-dimethoxyphenyl)carbamoyl]indol-1-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[3-[(2,4-dimethoxyanilino)-oxomethyl]-1-indolyl]-4-oxo-2-butenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-4-[3-[(2,4-dimethoxyphenyl)carbamoyl]indol-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-[3-[(2,4-dimethoxyphenyl)carbamoyl]indol-1-yl]-4-keto-but-2-enoic acid tert-butyl ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC(=O)N1C=C(C2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C(=O)N1C=C(C2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C25H26N2O6/c1-25(2,3)33-23(29)13-12-22(28)27-15-18(17-8-6-7-9-20(17)27)24(30)26-19-11-10-16(31-4)14-21(19)32-5/h6-15H,1-5H3,(H,26,30)/b13-12+