3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(piperidin-4-ylmethoxy)phenyl]propanoic acid

Systemtic Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(piperidin-4-ylmethoxy)phenyl]propanoic acid Openeye Name: 3-(7-carbamimidoyl-2-naphthyl)-2-[4-(4-piperidylmethoxy)phenyl]propanoic acid CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[4-(4-piperidinylmethoxy)phenyl]propanoic acid IUPAC Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(piperidin-4-ylmethoxy)phenyl]propanoic acid Traditional Name: 3-(7-amidino-2-naphthyl)-2-[4-(4-piperidylmethoxy)phenyl]propionic acid Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1COC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CNCCC1COC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C26H29N3O3/c27-25(28)21-4-3-19-2-1-18(13-22(19)15-21)14-24(26(30)31)20-5-7-23(8-6-20)32-16-17-9-11-29-12-10-17/h1-8,13,15,17,24,29H,9-12,14,16H2,(H3,27,28)(H,30,31)