propan-2-yl 2-[2-[5-[[(E)-but-2-enoyl]amino]pentyl]benzimidazol-1-yl]ethanoate

Systemtic Name: propan-2-yl 2-[2-[5-[[(E)-but-2-enoyl]amino]pentyl]benzimidazol-1-yl]ethanoate Openeye Name: isopropyl 2-[2-[5-[[(E)-but-2-enoyl]amino]pentyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[5-[[(E)-1-oxobut-2-enyl]amino]pentyl]-1-benzimidazolyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-[5-[[(E)-but-2-enoyl]amino]pentyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[5-[[(E)-but-2-enoyl]amino]pentyl]benzimidazol-1-yl]acetic acid isopropyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NCCCCCC1=NC2=CC=CC=C2N1CC(=O)OC(C)C

Isomeric SMILES

C/C=C/C(=O)NCCCCCC1=NC2=CC=CC=C2N1CC(=O)OC(C)C

InChI

InChI=1S/C21H29N3O3/c1-4-10-20(25)22-14-9-5-6-13-19-23-17-11-7-8-12-18(17)24(19)15-21(26)27-16(2)3/h4,7-8,10-12,16H,5-6,9,13-15H2,1-3H3,(H,22,25)/b10-4+