3-(3,3-dimethylbutylamino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3,3-dimethylbutylamino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(3,3-dimethylbutylamino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(3,3-dimethylbutylamino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3,3-dimethylbutylamino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(3,3-dimethylbutylamino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-quinone Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC1=C(C(=O)C1=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)CCNC1=C(C(=O)C1=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H21NO3/c1-17(2,3)9-10-18-14-13(15(19)16(14)20)11-5-7-12(21-4)8-6-11/h5-8,18H,9-10H2,1-4H3