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

Systemtic Name: 1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(4-amidino-1-naphthyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)C=C(C(=C2)C(=O)O)OC5CCN(CC5)C(=N)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)C=C(C(=C2)C(=O)O)OC5CCN(CC5)C(=N)C

InChI

InChI=1S/C28H30N6O3/c1-16(29)33-11-9-19(10-12-33)37-26-14-25-24(13-23(26)28(35)36)32-17(2)34(25)15-18-7-8-22(27(30)31)21-6-4-3-5-20(18)21/h3-8,13-14,19,29H,9-12,15H2,1-2H3,(H3,30,31)(H,35,36)