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

Systemtic Name: 1-[5-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-yl-1H-benzimidazol-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-isopropyl-1H-benzimidazol-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-propan-2-yl-1H-benzimidazol-4-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-yl-1H-benzimidazol-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[(1-acetimidoyl-4-piperidyl)oxy]-5-[(4-amidino-1-naphthyl)methyl]-2-isopropyl-1H-benzimidazol-4-yl]isonipecotic acid Formula: C35H43N7O3 MolecularWeight: 609.76102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=C(C=C2N1)OC3CCN(CC3)C(=N)C)CC4=CC=C(C5=CC=CC=C45)C(=N)N)N6CCC(CC6)C(=O)O

Isomeric SMILES

CC(C)C1=NC2=C(C(=C(C=C2N1)OC3CCN(CC3)C(=N)C)CC4=CC=C(C5=CC=CC=C45)C(=N)N)N6CCC(CC6)C(=O)O

InChI

InChI=1S/C35H43N7O3/c1-20(2)34-39-29-19-30(45-24-12-16-41(17-13-24)21(3)36)28(32(31(29)40-34)42-14-10-22(11-15-42)35(43)44)18-23-8-9-27(33(37)38)26-7-5-4-6-25(23)26/h4-9,19-20,22,24,36H,10-18H2,1-3H3,(H3,37,38)(H,39,40)(H,43,44)