methyl 2-[4-[2-(2-azanylidene-3-prop-2-enyl-benzimidazol-1-yl)ethanoyl]phenoxy]ethanoate hydrobromide

Systemtic Name: methyl 2-[4-[2-(2-azanylidene-3-prop-2-enyl-benzimidazol-1-yl)ethanoyl]phenoxy]ethanoate hydrobromide Openeye Name: methyl 2-[4-[2-(3-allyl-2-imino-benzimidazol-1-yl)acetyl]phenoxy]acetate hydrobromide CAS Name: 2-[4-[2-(2-imino-3-prop-2-enyl-1-benzimidazolyl)-1-oxoethyl]phenoxy]acetic acid methyl ester hydrobromide IUPAC Name: methyl 2-[4-[2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)acetyl]phenoxy]acetate hydrobromide Traditional Name: 2-[4-[2-(3-allyl-2-imino-benzimidazol-1-yl)acetyl]phenoxy]acetic acid methyl ester hydrobromide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N(C2=N)CC=C.Br

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N(C2=N)CC=C.Br

InChI

InChI=1S/C21H21N3O4.BrH/c1-3-12-23-17-6-4-5-7-18(17)24(21(23)22)13-19(25)15-8-10-16(11-9-15)28-14-20(26)27-2;/h3-11,22H,1,12-14H2,2H3;1H