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

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

Click to see the large picture

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)N6CCC(CC6)C(=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)N6CCC(CC6)C(=O)O

InChI

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