3-[(3-methoxyphenyl)methylamino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(3-methoxyphenyl)methylamino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-[(3-methoxyphenyl)methylamino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[(3-methoxyphenyl)methylamino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(3-methoxyphenyl)methylamino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(m-anisylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)NCC3=CC(=CC=C3)OC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)NCC3=CC(=CC=C3)OC)C)C

InChI

InChI=1S/C21H21NO3/c1-12-8-14(3)17(9-13(12)2)18-19(21(24)20(18)23)22-11-15-6-5-7-16(10-15)25-4/h5-10,22H,11H2,1-4H3