1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[[1-(3-ethoxy-3-oxidanylidene-propanimidoyl)piperidin-4-yl]amino]-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]amino]-2-propan-2-yl-benzimidazole-4-carboxylic acid Openeye Name: 1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[[1-(3-ethoxy-3-oxo-propanimidoyl)-4-piperidyl]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]amino]-2-propan-2-yl-4-benzimidazolecarboxylic acid IUPAC Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[[1-(3-ethoxy-3-oxopropanimidoyl)piperidin-4-yl]amino]-2-propan-2-ylbenzimidazole-4-carboxylic acid Traditional Name: 1-[(7-amidino-2-naphthyl)methyl]-6-[[1-(3-ethoxy-3-keto-propanimidoyl)-4-piperidyl]amino]-2-isopropyl-benzimidazole-4-carboxylic acid Formula: C33H39N7O4 MolecularWeight: 597.70726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=N)N1CCC(CC1)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)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/C33H39N7O4/c1-4-44-29(41)17-28(34)39-11-9-24(10-12-39)37-25-15-26(33(42)43)30-27(16-25)40(32(38-30)19(2)3)18-20-5-6-21-7-8-22(31(35)36)14-23(21)13-20/h5-8,13-16,19,24,34,37H,4,9-12,17-18H2,1-3H3,(H3,35,36)(H,42,43)