3-(7-carbamimidoylnaphthalen-2-yl)-2-(1-ethanimidoylpiperidin-4-yl)oxy-2-phenyl-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC(CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)OC(CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)(C4=CC=CC=C4)C(=O)O

InChI

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