3-[(E)-3-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]amino]-2-methyl-prop-1-enyl]-4-phenylmethoxy-benzenecarboximidamide

Systemtic Name: 3-[(E)-3-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]amino]-2-methyl-prop-1-enyl]-4-phenylmethoxy-benzenecarboximidamide Openeye Name: 4-benzyloxy-3-[(E)-3-[4-[(1-ethanimidoyl-4-piperidyl)oxy]anilino]-2-methyl-prop-1-enyl]benzamidine CAS Name: 3-[(E)-3-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]anilino]-2-methylprop-1-enyl]-4-phenylmethoxybenzenecarboximidamide IUPAC Name: 3-[(E)-3-[4-(1-ethanimidoylpiperidin-4-yl)oxyanilino]-2-methylprop-1-enyl]-4-phenylmethoxybenzenecarboximidamide Traditional Name: 3-[(E)-3-[4-[(1-acetimidoyl-4-piperidyl)oxy]anilino]-2-methyl-prop-1-enyl]-4-benzoxy-benzamidine Formula: C31H37N5O2 MolecularWeight: 511.65778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=CC(=C1)C(=N)N)OCC2=CC=CC=C2)CNC3=CC=C(C=C3)OC4CCN(CC4)C(=N)C

Isomeric SMILES

C/C(=C\C1=C(C=CC(=C1)C(=N)N)OCC2=CC=CC=C2)/CNC3=CC=C(C=C3)OC4CCN(CC4)C(=N)C

InChI

InChI=1S/C31H37N5O2/c1-22(18-26-19-25(31(33)34)8-13-30(26)37-21-24-6-4-3-5-7-24)20-35-27-9-11-28(12-10-27)38-29-14-16-36(17-15-29)23(2)32/h3-13,18-19,29,32,35H,14-17,20-21H2,1-2H3,(H3,33,34)/b22-18+,32-23?