tert-butyl 2-[3-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[(5-isocyano-1-isopentyl-benzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]acetate CAS Name: 2-[3-[[5-isocyano-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]acetate Traditional Name: 2-[3-[(1-isoamyl-5-isocyano-benzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]acetic acid tert-butyl ester Formula: C27H31N5O3 MolecularWeight: 473.56674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CN3C4=CC=CC=C4N(C3=O)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CN3C4=CC=CC=C4N(C3=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C27H31N5O3/c1-18(2)13-14-30-21-12-11-19(28-6)15-20(21)29-24(30)16-31-22-9-7-8-10-23(22)32(26(31)34)17-25(33)35-27(3,4)5/h7-12,15,18H,13-14,16-17H2,1-5H3