ethyl 3-[[2-[[(4-carbamimidoyl-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoyl-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-carbamimidoyl-2-methoxy-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-carbamimidoyl-2-methoxyanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-carbamimidoyl-2-methoxyanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-amidino-2-methoxy-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C29H32N6O4 MolecularWeight: 528.60218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=C(C=C(C=C4)C(=N)N)OC)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=C(C=C(C=C4)C(=N)N)OC)C

InChI

InChI=1S/C29H32N6O4/c1-4-39-27(36)14-15-35(21-8-6-5-7-9-21)29(37)20-11-13-24-23(16-20)33-26(34(24)2)18-32-22-12-10-19(28(30)31)17-25(22)38-3/h5-13,16-17,32H,4,14-15,18H2,1-3H3,(H3,30,31)