tert-butyl 2-(2-azanylidene-3-prop-2-enyl-benzimidazol-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(2-azanylidene-3-prop-2-enyl-benzimidazol-1-yl)ethanoate Openeye Name: tert-butyl 2-(3-allyl-2-imino-benzimidazol-1-yl)acetate CAS Name: 2-(2-imino-3-prop-2-enyl-1-benzimidazolyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)acetate Traditional Name: 2-(3-allyl-2-imino-benzimidazol-1-yl)acetic acid tert-butyl ester Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(C1=N)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(C1=N)CC=C

InChI

InChI=1S/C16H21N3O2/c1-5-10-18-12-8-6-7-9-13(12)19(15(18)17)11-14(20)21-16(2,3)4/h5-9,17H,1,10-11H2,2-4H3