methyl (E)-3-[1-butyl-2,5-bis(tert-butylcarbamoyl)imidazol-4-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[1-butyl-2,5-bis(tert-butylcarbamoyl)imidazol-4-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-butyl-2,5-bis(tert-butylcarbamoyl)imidazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-butyl-2,5-bis[(tert-butylamino)-oxomethyl]-4-imidazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-butyl-2,5-bis(tert-butylcarbamoyl)imidazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-butyl-2,5-bis(tert-butylcarbamoyl)imidazol-4-yl]acrylic acid methyl ester Formula: C21H34N4O4 MolecularWeight: 406.51906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1C(=O)NC(C)(C)C)C=CC(=O)OC)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCN1C(=C(N=C1C(=O)NC(C)(C)C)/C=C/C(=O)OC)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H34N4O4/c1-9-10-13-25-16(18(27)23-20(2,3)4)14(11-12-15(26)29-8)22-17(25)19(28)24-21(5,6)7/h11-12H,9-10,13H2,1-8H3,(H,23,27)(H,24,28)/b12-11+