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

Systemtic Name: 2-[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-yl-benzimidazol-4-yl]oxyethanoic acid Openeye Name: 2-[1-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-isopropyl-benzimidazol-4-yl]oxyacetic acid CAS Name: 2-[[1-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-propan-2-yl-4-benzimidazolyl]oxy]acetic acid IUPAC Name: 2-[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-ylbenzimidazol-4-yl]oxyacetic acid Traditional Name: 2-[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(4-amidino-1-naphthyl)methyl]-2-isopropyl-benzimidazol-4-yl]oxyacetic acid Formula: C31H36N6O4 MolecularWeight: 556.65534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C(C=C2N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCN(CC5)C(=N)C)OCC(=O)O

Isomeric SMILES

CC(C)C1=NC2=C(C=C(C=C2N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCN(CC5)C(=N)C)OCC(=O)O

InChI

InChI=1S/C31H36N6O4/c1-18(2)31-35-29-26(37(31)16-20-8-9-25(30(33)34)24-7-5-4-6-23(20)24)14-22(15-27(29)40-17-28(38)39)41-21-10-12-36(13-11-21)19(3)32/h4-9,14-15,18,21,32H,10-13,16-17H2,1-3H3,(H3,33,34)(H,38,39)