3-(2-methylbutan-2-ylamino)-4-[4-(3-phenylpropanoyl)phenyl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(2-methylbutan-2-ylamino)-4-[4-(3-phenylpropanoyl)phenyl]cyclobut-3-ene-1,2-dione Openeye Name: 3-(1,1-dimethylpropylamino)-4-[4-(3-phenylpropanoyl)phenyl]cyclobut-3-ene-1,2-dione CAS Name: 3-(2-methylbutan-2-ylamino)-4-[4-(1-oxo-3-phenylpropyl)phenyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(2-methylbutan-2-ylamino)-4-[4-(3-phenylpropanoyl)phenyl]cyclobut-3-ene-1,2-dione Traditional Name: 3-(tert-amylamino)-4-(4-hydrocinnamoylphenyl)cyclobut-3-ene-1,2-quinone Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(C(=O)C1=O)C2=CC=C(C=C2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)NC1=C(C(=O)C1=O)C2=CC=C(C=C2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO3/c1-4-24(2,3)25-21-20(22(27)23(21)28)18-13-11-17(12-14-18)19(26)15-10-16-8-6-5-7-9-16/h5-9,11-14,25H,4,10,15H2,1-3H3