3-[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-benzimidazol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-benzimidazol-2-yl]propanoic acid Openeye Name: 3-[1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]benzimidazol-2-yl]propanoic acid CAS Name: 3-[1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-benzimidazolyl]propanoic acid IUPAC Name: 3-[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxybenzimidazol-2-yl]propanoic acid Traditional Name: 3-[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(7-amidino-2-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=CC5=C(C=C4)C=CC(=C5)C(=N)N)CCC(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N=C(N3CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)CCC(=O)O

InChI

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