2-[6-[(4-carbamimidoylphenyl)carbamoyl]-3-(phenylmethoxymethyl)benzimidazol-5-yl]benzoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-3-(phenylmethoxymethyl)benzimidazol-5-yl]benzoic acid Openeye Name: 2-[3-(benzyloxymethyl)-6-[(4-carbamimidoylphenyl)carbamoyl]benzimidazol-5-yl]benzoic acid CAS Name: 2-[6-[(4-carbamimidoylanilino)-oxomethyl]-3-(phenylmethoxymethyl)-5-benzimidazolyl]benzoic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-3-(phenylmethoxymethyl)benzimidazol-5-yl]benzoic acid Traditional Name: 2-[6-[(4-amidinophenyl)carbamoyl]-3-(benzoxymethyl)benzimidazol-5-yl]benzoic acid Formula: C30H25N5O4 MolecularWeight: 519.5506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCN2C=NC3=C2C=C(C(=C3)C(=O)NC4=CC=C(C=C4)C(=N)N)C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCN2C=NC3=C2C=C(C(=C3)C(=O)NC4=CC=C(C=C4)C(=N)N)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C30H25N5O4/c31-28(32)20-10-12-21(13-11-20)34-29(36)25-14-26-27(15-24(25)22-8-4-5-9-23(22)30(37)38)35(17-33-26)18-39-16-19-6-2-1-3-7-19/h1-15,17H,16,18H2,(H3,31,32)(H,34,36)(H,37,38)