1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)methylamino]-2-propan-2-yl-benzimidazole-4-carboxylic acid

Systemtic Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)methylamino]-2-propan-2-yl-benzimidazole-4-carboxylic acid Openeye Name: 1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)methylamino]-2-isopropyl-benzimidazole-4-carboxylic acid CAS Name: 1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]methylamino]-2-propan-2-yl-4-benzimidazolecarboxylic acid IUPAC Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)methylamino]-2-propan-2-ylbenzimidazole-4-carboxylic acid Traditional Name: 6-[(1-acetimidoyl-4-piperidyl)methylamino]-1-[(7-amidino-2-naphthyl)methyl]-2-isopropyl-benzimidazole-4-carboxylic acid Formula: C31H37N7O2 MolecularWeight: 539.67118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2C(=O)O)NCC5CCN(CC5)C(=N)C

Isomeric SMILES

CC(C)C1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2C(=O)O)NCC5CCN(CC5)C(=N)C

InChI

InChI=1S/C31H37N7O2/c1-18(2)30-36-28-26(31(39)40)14-25(35-16-20-8-10-37(11-9-20)19(3)32)15-27(28)38(30)17-21-4-5-22-6-7-23(29(33)34)13-24(22)12-21/h4-7,12-15,18,20,32,35H,8-11,16-17H2,1-3H3,(H3,33,34)(H,39,40)