3-(3,4-dimethoxyphenyl)-4-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[(1-benzyl-2-hydroxy-ethyl)amino]-4-(3,4-dimethoxyphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(3,4-dimethoxyphenyl)-4-[(1-hydroxy-3-phenylpropan-2-yl)amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-[(1-hydroxy-3-phenylpropan-2-yl)amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[(1-benzyl-2-hydroxy-ethyl)amino]-4-(3,4-dimethoxyphenyl)cyclobut-3-ene-1,2-quinone Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C2=O)NC(CC3=CC=CC=C3)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C2=O)NC(CC3=CC=CC=C3)CO)OC

InChI

InChI=1S/C21H21NO5/c1-26-16-9-8-14(11-17(16)27-2)18-19(21(25)20(18)24)22-15(12-23)10-13-6-4-3-5-7-13/h3-9,11,15,22-23H,10,12H2,1-2H3