2,4-dimethylpentan-3-yl 4-[[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methylamino]benzoate

Systemtic Name: 2,4-dimethylpentan-3-yl 4-[[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methylamino]benzoate Openeye Name: (1-isopropyl-2-methyl-propyl) 4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate CAS Name: 4-[(3,6-dioxo-1-cyclohexa-1,4-dienyl)methylamino]benzoic acid 2,4-dimethylpentan-3-yl ester IUPAC Name: 2,4-dimethylpentan-3-yl 4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate Traditional Name: 4-[(3,6-diketocyclohexa-1,4-dien-1-yl)methylamino]benzoic acid (1-isopropyl-2-methyl-propyl) ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O

Isomeric SMILES

CC(C)C(C(C)C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O

InChI

InChI=1S/C21H25NO4/c1-13(2)20(14(3)4)26-21(25)15-5-7-17(8-6-15)22-12-16-11-18(23)9-10-19(16)24/h5-11,13-14,20,22H,12H2,1-4H3