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

Systemtic Name: methyl 2-[4-[2-(2-azanylidene-3-heptyl-benzimidazol-1-yl)ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-(3-heptyl-2-imino-benzimidazol-1-yl)acetyl]phenoxy]acetate CAS Name: 2-[4-[2-(3-heptyl-2-imino-1-benzimidazolyl)-1-oxoethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(3-heptyl-2-iminobenzimidazol-1-yl)acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-(3-heptyl-2-imino-benzimidazol-1-yl)acetyl]phenoxy]acetic acid methyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC

InChI

InChI=1S/C25H31N3O4/c1-3-4-5-6-9-16-27-21-10-7-8-11-22(21)28(25(27)26)17-23(29)19-12-14-20(15-13-19)32-18-24(30)31-2/h7-8,10-15,26H,3-6,9,16-18H2,1-2H3