3-[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-piperidin-4-yloxy-benzimidazol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-piperidin-4-yloxy-benzimidazol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-carbamimidoyl-1-naphthyl)methyl]-6-(4-piperidyloxy)benzimidazol-2-yl]propanoic acid CAS Name: 3-[1-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-(4-piperidinyloxy)-2-benzimidazolyl]propanoic acid IUPAC Name: 3-[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-piperidin-4-yloxybenzimidazol-2-yl]propanoic acid Traditional Name: 3-[1-[(4-amidino-1-naphthyl)methyl]-6-(4-piperidyloxy)benzimidazol-2-yl]propionic acid Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=CC3=C(C=C2)N=C(N3CC4=CC=C(C5=CC=CC=C45)C(=N)N)CCC(=O)O

Isomeric SMILES

C1CNCCC1OC2=CC3=C(C=C2)N=C(N3CC4=CC=C(C5=CC=CC=C45)C(=N)N)CCC(=O)O

InChI

InChI=1S/C27H29N5O3/c28-27(29)22-7-5-17(20-3-1-2-4-21(20)22)16-32-24-15-19(35-18-11-13-30-14-12-18)6-8-23(24)31-25(32)9-10-26(33)34/h1-8,15,18,30H,9-14,16H2,(H3,28,29)(H,33,34)