2-methylpropyl 3-carbamimidoyl-4-[5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]-1-methyl-benzimidazol-2-yl]benzoate

Systemtic Name: 2-methylpropyl 3-carbamimidoyl-4-[5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]-1-methyl-benzimidazol-2-yl]benzoate Openeye Name: isobutyl 3-carbamimidoyl-4-[5-[(3-methoxy-3-oxo-propyl)carbamoyl]-1-methyl-benzimidazol-2-yl]benzoate CAS Name: 3-carbamimidoyl-4-[5-[[(3-methoxy-3-oxopropyl)amino]-oxomethyl]-1-methyl-2-benzimidazolyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-carbamimidoyl-4-[5-[(3-methoxy-3-oxopropyl)carbamoyl]-1-methylbenzimidazol-2-yl]benzoate Traditional Name: 3-amidino-4-[5-[(3-keto-3-methoxy-propyl)carbamoyl]-1-methyl-benzimidazol-2-yl]benzoic acid isobutyl ester Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)OC)C(=N)N

Isomeric SMILES

CC(C)COC(=O)C1=CC(=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)OC)C(=N)N

InChI

InChI=1S/C25H29N5O5/c1-14(2)13-35-25(33)16-5-7-17(18(11-16)22(26)27)23-29-19-12-15(6-8-20(19)30(23)3)24(32)28-10-9-21(31)34-4/h5-8,11-12,14H,9-10,13H2,1-4H3,(H3,26,27)(H,28,32)