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

Systemtic Name: 3-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]amino]propanoic acid Openeye Name: 3-[N-[(7-carbamimidoyl-2-naphthyl)methyl]-4-[(1-ethanimidoyl-4-piperidyl)oxy]anilino]propanoic acid CAS Name: 3-[N-[(7-carbamimidoyl-2-naphthalenyl)methyl]-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]anilino]propanoic acid IUPAC Name: 3-[N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-4-(1-ethanimidoylpiperidin-4-yl)oxyanilino]propanoic acid Traditional Name: 3-[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-[(7-amidino-2-naphthyl)methyl]anilino]propionic acid Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O3/c1-19(29)32-13-10-26(11-14-32)36-25-8-6-24(7-9-25)33(15-12-27(34)35)18-20-2-3-21-4-5-22(28(30)31)17-23(21)16-20/h2-9,16-17,26,29H,10-15,18H2,1H3,(H3,30,31)(H,34,35)