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

Systemtic Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-[2-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid Openeye Name: 3-(7-carbamimidoyl-2-naphthyl)-2-[2-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]propanoic acid CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[2-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-[2-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid Traditional Name: 2-[2-[(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=CC=C2C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=CC=C2C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

InChI

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