2-[[4-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-1H-benzimidazol-5-yl]oxy]ethanoic acid

Systemtic Name: 2-[[4-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-1H-benzimidazol-5-yl]oxy]ethanoic acid Openeye Name: 2-[[4-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-methyl-1H-benzimidazol-5-yl]oxy]acetic acid CAS Name: 2-[[4-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-methyl-1H-benzimidazol-5-yl]oxy]acetic acid IUPAC Name: 2-[[4-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-1H-benzimidazol-5-yl]oxy]acetic acid Traditional Name: 2-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-4-[(4-amidino-1-naphthyl)methyl]-2-methyl-1H-benzimidazol-5-yl]oxy]acetic acid Formula: C29H32N6O4 MolecularWeight: 528.60218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C=C2N1)OC3CCN(CC3)C(=N)C)OCC(=O)O)CC4=CC=C(C5=CC=CC=C45)C(=N)N

Isomeric SMILES

CC1=NC2=C(C(=C(C=C2N1)OC3CCN(CC3)C(=N)C)OCC(=O)O)CC4=CC=C(C5=CC=CC=C45)C(=N)N

InChI

InChI=1S/C29H32N6O4/c1-16(30)35-11-9-19(10-12-35)39-25-14-24-27(34-17(2)33-24)23(28(25)38-15-26(36)37)13-18-7-8-22(29(31)32)21-6-4-3-5-20(18)21/h3-8,14,19,30H,9-13,15H2,1-2H3,(H3,31,32)(H,33,34)(H,36,37)