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

Systemtic Name: heptyl 2-carbamimidoyl-4-[[5-[(3-ethoxy-3-oxidanylidene-propyl)-pyridin-2-yl-carbamoyl]oxy-1-methyl-benzimidazol-2-yl]methylamino]-3-methoxy-benzoate Openeye Name: heptyl 2-carbamimidoyl-4-[[5-[(3-ethoxy-3-oxo-propyl)-(2-pyridyl)carbamoyl]oxy-1-methyl-benzimidazol-2-yl]methylamino]-3-methoxy-benzoate CAS Name: 2-carbamimidoyl-4-[[5-[[(3-ethoxy-3-oxopropyl)-(2-pyridinyl)amino]-oxomethoxy]-1-methyl-2-benzimidazolyl]methylamino]-3-methoxybenzoic acid heptyl ester IUPAC Name: heptyl 2-carbamimidoyl-4-[[5-[(3-ethoxy-3-oxopropyl)-pyridin-2-ylcarbamoyl]oxy-1-methylbenzimidazol-2-yl]methylamino]-3-methoxybenzoate Traditional Name: 2-amidino-4-[[5-[(3-ethoxy-3-keto-propyl)-(2-pyridyl)carbamoyl]oxy-1-methyl-benzimidazol-2-yl]methylamino]-3-methoxy-benzoic acid heptyl ester Formula: C36H45N7O7 MolecularWeight: 687.7852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H45N7O7/c1-5-7-8-9-12-21-49-35(45)25-15-16-26(33(47-4)32(25)34(37)38)40-23-30-41-27-22-24(14-17-28(27)42(30)3)50-36(46)43(20-18-31(44)48-6-2)29-13-10-11-19-39-29/h10-11,13-17,19,22,40H,5-9,12,18,20-21,23H2,1-4H3,(H3,37,38)