N-[2-[5-carbamimidoyl-2-[(E)-3-oxidanylidenebut-1-enyl]phenoxy]ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxy-benzamide

Systemtic Name: N-[2-[5-carbamimidoyl-2-[(E)-3-oxidanylidenebut-1-enyl]phenoxy]ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxy-benzamide Openeye Name: N-[2-[5-carbamimidoyl-2-[(E)-3-oxobut-1-enyl]phenoxy]ethyl]-4-[(1-ethanimidoyl-4-piperidyl)oxy]benzamide CAS Name: N-[2-[5-carbamimidoyl-2-[(E)-3-oxobut-1-enyl]phenoxy]ethyl]-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]benzamide IUPAC Name: N-[2-[5-carbamimidoyl-2-[(E)-3-oxobut-1-enyl]phenoxy]ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)oxy]-N-[2-[5-amidino-2-[(E)-3-ketobut-1-enyl]phenoxy]ethyl]benzamide Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C

Isomeric SMILES

CC(=O)/C=C/C1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C

InChI

InChI=1S/C27H33N5O4/c1-18(33)3-4-20-5-6-22(26(29)30)17-25(20)35-16-13-31-27(34)21-7-9-23(10-8-21)36-24-11-14-32(15-12-24)19(2)28/h3-10,17,24,28H,11-16H2,1-2H3,(H3,29,30)(H,31,34)/b4-3+,28-19?