methyl 2-[2-[3-(cyclohexen-1-yl)-2-oxidanylidene-benzimidazol-1-yl]ethanoylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[2-[3-(cyclohexen-1-yl)-2-oxidanylidene-benzimidazol-1-yl]ethanoylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[2-[3-(cyclohexen-1-yl)-2-oxo-benzimidazol-1-yl]acetyl]amino]-2-methyl-propanoate CAS Name: 2-[[2-[3-(1-cyclohexenyl)-2-oxo-1-benzimidazolyl]-1-oxoethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-methylpropanoate Traditional Name: 2-[[2-[3-(cyclohexen-1-yl)-2-keto-benzimidazol-1-yl]acetyl]amino]-2-methyl-propionic acid methyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)CN1C2=CC=CC=C2N(C1=O)C3=CCCCC3

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)CN1C2=CC=CC=C2N(C1=O)C3=CCCCC3

InChI

InChI=1S/C20H25N3O4/c1-20(2,18(25)27-3)21-17(24)13-22-15-11-7-8-12-16(15)23(19(22)26)14-9-5-4-6-10-14/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,21,24)