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

Systemtic Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)amino]-2-propan-2-yl-benzimidazole-4-carboxylic acid Openeye Name: 1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)amino]-2-isopropyl-benzimidazole-4-carboxylic acid CAS Name: 1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]amino]-2-propan-2-yl-4-benzimidazolecarboxylic acid IUPAC Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)amino]-2-propan-2-ylbenzimidazole-4-carboxylic acid Traditional Name: 6-[(1-acetimidoyl-4-piperidyl)amino]-1-[(7-amidino-2-naphthyl)methyl]-2-isopropyl-benzimidazole-4-carboxylic acid Formula: C30H35N7O2 MolecularWeight: 525.6446

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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)NC5CCN(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)NC5CCN(CC5)C(=N)C

InChI

InChI=1S/C30H35N7O2/c1-17(2)29-35-27-25(30(38)39)14-24(34-23-8-10-36(11-9-23)18(3)31)15-26(27)37(29)16-19-4-5-20-6-7-21(28(32)33)13-22(20)12-19/h4-7,12-15,17,23,31,34H,8-11,16H2,1-3H3,(H3,32,33)(H,38,39)