tert-butyl 4-[3-[(5-acetyloxy-3,4-dihydro-2H-benzo[h]chromen-6-yl)oxy]-2-azanyl-3-oxidanylidene-propyl]-1H-imidazol-3-ium-3-carboxylate

Systemtic Name: tert-butyl 4-[3-[(5-acetyloxy-3,4-dihydro-2H-benzo[h]chromen-6-yl)oxy]-2-azanyl-3-oxidanylidene-propyl]-1H-imidazol-3-ium-3-carboxylate Openeye Name: tert-butyl 4-[3-[(5-acetoxy-3,4-dihydro-2H-benzo[h]chromen-6-yl)oxy]-2-amino-3-oxo-propyl]-1H-imidazol-3-ium-3-carboxylate CAS Name: 4-[3-[(5-acetyloxy-3,4-dihydro-2H-benzo[h][1]benzopyran-6-yl)oxy]-2-amino-3-oxopropyl]-1H-imidazol-3-ium-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(5-acetyloxy-3,4-dihydro-2H-benzo[h]chromen-6-yl)oxy]-2-amino-3-oxopropyl]-1H-imidazol-3-ium-3-carboxylate Traditional Name: 4-[3-[(5-acetoxy-3,4-dihydro-2H-benzo[h]chromen-6-yl)oxy]-2-amino-3-keto-propyl]-1H-imidazol-3-ium-3-carboxylic acid tert-butyl ester Formula: C26H30N3O7+ MolecularWeight: 496.5323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=CC=CC=C2C3=C1CCCO3)OC(=O)C(CC4=CNC=[N+]4C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(=O)OC1=C(C2=CC=CC=C2C3=C1CCCO3)OC(=O)C(CC4=CNC=[N+]4C(=O)OC(C)(C)C)N

InChI

InChI=1S/C26H29N3O7/c1-15(30)34-23-19-10-7-11-33-21(19)17-8-5-6-9-18(17)22(23)35-24(31)20(27)12-16-13-28-14-29(16)25(32)36-26(2,3)4/h5-6,8-9,13-14,20H,7,10-12,27H2,1-4H3/p+1