propan-2-yl 2-[2-[5-(2-methylprop-2-enoylamino)pentyl]benzimidazol-1-yl]ethanoate

Systemtic Name: propan-2-yl 2-[2-[5-(2-methylprop-2-enoylamino)pentyl]benzimidazol-1-yl]ethanoate Openeye Name: isopropyl 2-[2-[5-(2-methylprop-2-enoylamino)pentyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[5-[(2-methyl-1-oxoprop-2-enyl)amino]pentyl]-1-benzimidazolyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-[5-(2-methylprop-2-enoylamino)pentyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-(5-methacrylamidopentyl)benzimidazol-1-yl]acetic acid isopropyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CN1C2=CC=CC=C2N=C1CCCCCNC(=O)C(=C)C

Isomeric SMILES

CC(C)OC(=O)CN1C2=CC=CC=C2N=C1CCCCCNC(=O)C(=C)C

InChI

InChI=1S/C21H29N3O3/c1-15(2)21(26)22-13-9-5-6-12-19-23-17-10-7-8-11-18(17)24(19)14-20(25)27-16(3)4/h7-8,10-11,16H,1,5-6,9,12-14H2,2-4H3,(H,22,26)