1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[[1-(3-ethoxy-3-oxidanylidene-propanimidoyl)piperidin-4-yl]carbonylamino]-2-propan-2-yl-benzimidazole-4-carboxylic acid

Systemtic Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[[1-(3-ethoxy-3-oxidanylidene-propanimidoyl)piperidin-4-yl]carbonylamino]-2-propan-2-yl-benzimidazole-4-carboxylic acid Openeye Name: 1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[[1-(3-ethoxy-3-oxo-propanimidoyl)piperidine-4-carbonyl]amino]-2-isopropyl-benzimidazole-4-carboxylic acid CAS Name: 1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[[1-(3-ethoxy-1-imino-3-oxopropyl)-4-piperidinyl]-oxomethyl]amino]-2-propan-2-yl-4-benzimidazolecarboxylic acid IUPAC Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[[1-(3-ethoxy-3-oxopropanimidoyl)piperidine-4-carbonyl]amino]-2-propan-2-ylbenzimidazole-4-carboxylic acid Traditional Name: 1-[(7-amidino-2-naphthyl)methyl]-6-[[1-(3-ethoxy-3-keto-propanimidoyl)isonipecotoyl]amino]-2-isopropyl-benzimidazole-4-carboxylic acid Formula: C34H39N7O5 MolecularWeight: 625.71736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=N)N1CCC(CC1)C(=O)NC2=CC3=C(C(=C2)C(=O)O)N=C(N3CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C(C)C

Isomeric SMILES

CCOC(=O)CC(=N)N1CCC(CC1)C(=O)NC2=CC3=C(C(=C2)C(=O)O)N=C(N3CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C(C)C

InChI

InChI=1S/C34H39N7O5/c1-4-46-29(42)17-28(35)40-11-9-22(10-12-40)33(43)38-25-15-26(34(44)45)30-27(16-25)41(32(39-30)19(2)3)18-20-5-6-21-7-8-23(31(36)37)14-24(21)13-20/h5-8,13-16,19,22,35H,4,9-12,17-18H2,1-3H3,(H3,36,37)(H,38,43)(H,44,45)