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

Systemtic Name: 1-adamantyl 4-[[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methylamino]benzoate Openeye Name: 1-adamantyl 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 1-adamantyl ester IUPAC Name: 1-adamantyl 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-adamantyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=CC(=O)C=CC5=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=CC(=O)C=CC5=O

InChI

InChI=1S/C24H25NO4/c26-21-5-6-22(27)19(10-21)14-25-20-3-1-18(2-4-20)23(28)29-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17,25H,7-9,11-14H2