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

Systemtic Name: 1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)amino]-2-propan-2-yl-benzimidazole-4-carboxylic acid Openeye Name: 1-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)amino]-2-isopropyl-benzimidazole-4-carboxylic acid CAS Name: 1-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]amino]-2-propan-2-yl-4-benzimidazolecarboxylic acid IUPAC Name: 1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)amino]-2-propan-2-ylbenzimidazole-4-carboxylic acid Traditional Name: 6-[(1-acetimidoyl-4-piperidyl)amino]-1-[(4-amidino-1-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=CC=C(C4=CC=CC=C34)C(=N)N)C=C(C=C2C(=O)O)NC5CCN(CC5)C(=N)C

Isomeric SMILES

CC(C)C1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)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)14-21(34-20-10-12-36(13-11-20)18(3)31)15-26(27)37(29)16-19-8-9-24(28(32)33)23-7-5-4-6-22(19)23/h4-9,14-15,17,20,31,34H,10-13,16H2,1-3H3,(H3,32,33)(H,38,39)