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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCN(CC5)C(=N)C)OCC(=O)O

Isomeric SMILES

CC1=NC2=CC(=C(C=C2N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCN(CC5)C(=N)C)OCC(=O)O

InChI

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