pentyl 2-carbamimidoyl-4-[[5-[(3-ethoxy-3-oxidanylidene-propyl)-pyridin-2-yl-carbamoyl]-1-methyl-benzimidazol-2-yl]methylamino]-3-methoxy-benzoate

Systemtic Name: pentyl 2-carbamimidoyl-4-[[5-[(3-ethoxy-3-oxidanylidene-propyl)-pyridin-2-yl-carbamoyl]-1-methyl-benzimidazol-2-yl]methylamino]-3-methoxy-benzoate Openeye Name: pentyl 2-carbamimidoyl-4-[[5-[(3-ethoxy-3-oxo-propyl)-(2-pyridyl)carbamoyl]-1-methyl-benzimidazol-2-yl]methylamino]-3-methoxy-benzoate CAS Name: 2-carbamimidoyl-4-[[5-[[(3-ethoxy-3-oxopropyl)-(2-pyridinyl)amino]-oxomethyl]-1-methyl-2-benzimidazolyl]methylamino]-3-methoxybenzoic acid pentyl ester IUPAC Name: pentyl 2-carbamimidoyl-4-[[5-[(3-ethoxy-3-oxopropyl)-pyridin-2-ylcarbamoyl]-1-methylbenzimidazol-2-yl]methylamino]-3-methoxybenzoate Traditional Name: 2-amidino-4-[[5-[(3-ethoxy-3-keto-propyl)-(2-pyridyl)carbamoyl]-1-methyl-benzimidazol-2-yl]methylamino]-3-methoxy-benzoic acid amyl ester Formula: C34H41N7O6 MolecularWeight: 643.73264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C(=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)OC)C(=N)N

Isomeric SMILES

CCCCCOC(=O)C1=C(C(=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)OC)C(=N)N

InChI

InChI=1S/C34H41N7O6/c1-5-7-10-19-47-34(44)23-13-14-24(31(45-4)30(23)32(35)36)38-21-28-39-25-20-22(12-15-26(25)40(28)3)33(43)41(18-16-29(42)46-6-2)27-11-8-9-17-37-27/h8-9,11-15,17,20,38H,5-7,10,16,18-19,21H2,1-4H3,(H3,35,36)