2-[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-(1-carbamimidoylpiperidin-4-yl)oxy-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-(1-carbamimidoylpiperidin-4-yl)oxy-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[3-[(7-carbamimidoyl-2-naphthyl)methyl]-5-[(1-carbamimidoyl-4-piperidyl)oxy]-2-oxo-benzimidazol-1-yl]acetic acid CAS Name: 2-[3-[(7-carbamimidoyl-2-naphthalenyl)methyl]-5-[(1-carbamimidoyl-4-piperidinyl)oxy]-2-oxo-1-benzimidazolyl]acetic acid IUPAC Name: 2-[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-(1-carbamimidoylpiperidin-4-yl)oxy-2-oxobenzimidazol-1-yl]acetic acid Traditional Name: 2-[3-[(7-amidino-2-naphthyl)methyl]-5-[(1-amidino-4-piperidyl)oxy]-2-keto-benzimidazol-1-yl]acetic acid Formula: C27H29N7O4 MolecularWeight: 515.56366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC3=C(C=C2)N(C(=O)N3CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)CC(=O)O)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC3=C(C=C2)N(C(=O)N3CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)CC(=O)O)C(=N)N

InChI

InChI=1S/C27H29N7O4/c28-25(29)18-4-3-17-2-1-16(11-19(17)12-18)14-33-23-13-21(38-20-7-9-32(10-8-20)26(30)31)5-6-22(23)34(27(33)37)15-24(35)36/h1-6,11-13,20H,7-10,14-15H2,(H3,28,29)(H3,30,31)(H,35,36)