3-[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-benzimidazol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-benzimidazol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]benzimidazol-2-yl]propanoic acid CAS Name: 3-[1-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-benzimidazolyl]propanoic acid IUPAC Name: 3-[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxybenzimidazol-2-yl]propanoic acid Traditional Name: 3-[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(4-amidino-1-naphthyl)methyl]benzimidazol-2-yl]propionic acid Formula: C29H32N6O3 MolecularWeight: 512.60278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N=C(N3CC4=CC=C(C5=CC=CC=C45)C(=N)N)CCC(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N=C(N3CC4=CC=C(C5=CC=CC=C45)C(=N)N)CCC(=O)O

InChI

InChI=1S/C29H32N6O3/c1-18(30)34-14-12-20(13-15-34)38-21-7-9-25-26(16-21)35(27(33-25)10-11-28(36)37)17-19-6-8-24(29(31)32)23-5-3-2-4-22(19)23/h2-9,16,20,30H,10-15,17H2,1H3,(H3,31,32)(H,36,37)