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

Systemtic Name: 2-[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-(1-ethanimidoylpiperidin-4-yl)oxy-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[3-[(7-carbamimidoyl-2-naphthyl)methyl]-5-[(1-ethanimidoyl-4-piperidyl)oxy]-2-oxo-benzimidazol-1-yl]acetic acid CAS Name: 2-[3-[(7-carbamimidoyl-2-naphthalenyl)methyl]-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-oxo-1-benzimidazolyl]acetic acid IUPAC Name: 2-[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-(1-ethanimidoylpiperidin-4-yl)oxy-2-oxobenzimidazol-1-yl]acetic acid Traditional Name: 2-[5-[(1-acetimidoyl-4-piperidyl)oxy]-3-[(7-amidino-2-naphthyl)methyl]-2-keto-benzimidazol-1-yl]acetic acid Formula: C28H30N6O4 MolecularWeight: 514.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)N3CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)CC(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)N3CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)CC(=O)O

InChI

InChI=1S/C28H30N6O4/c1-17(29)32-10-8-22(9-11-32)38-23-6-7-24-25(14-23)33(28(37)34(24)16-26(35)36)15-18-2-3-19-4-5-20(27(30)31)13-21(19)12-18/h2-7,12-14,22,29H,8-11,15-16H2,1H3,(H3,30,31)(H,35,36)