(2R)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid

Systemtic Name: (2R)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid Openeye Name: (2R)-3-(7-carbamimidoyl-2-naphthyl)-2-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]propanoic acid CAS Name: (2R)-3-(7-carbamimidoyl-2-naphthalenyl)-2-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]propanoic acid IUPAC Name: (2R)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid Traditional Name: (2R)-2-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-3-(7-amidino-2-naphthyl)propionic acid Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)[C@@H](CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C27H30N4O3/c1-17(28)31-12-10-24(11-13-31)34-23-8-6-20(7-9-23)25(27(32)33)15-18-2-3-19-4-5-21(26(29)30)16-22(19)14-18/h2-9,14,16,24-25,28H,10-13,15H2,1H3,(H3,29,30)(H,32,33)/t25-/m1/s1