3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-(4-piperidin-4-yloxyphenyl)propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-(4-piperidin-4-yloxyphenyl)propanoic acid Openeye Name: 3-(5-carbamimidoylbenzothiophen-2-yl)-2-[4-(4-piperidyloxy)phenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-(4-piperidinyloxy)phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-(4-piperidin-4-yloxyphenyl)propanoic acid Traditional Name: 3-(5-amidinobenzothiophen-2-yl)-2-[4-(4-piperidyloxy)phenyl]propionic acid Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CNCCC1OC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C23H25N3O3S/c24-22(25)15-3-6-21-16(11-15)12-19(30-21)13-20(23(27)28)14-1-4-17(5-2-14)29-18-7-9-26-10-8-18/h1-6,11-12,18,20,26H,7-10,13H2,(H3,24,25)(H,27,28)