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

Systemtic Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-[2-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoic acid Openeye Name: 3-(7-carbamimidoyl-2-naphthyl)-2-[2-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoic acid CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[2-[[1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-[2-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoic acid Traditional Name: 2-[2-(1-acetimidoylpyrrolidin-3-yl)oxyphenyl]-3-(7-amidino-2-naphthyl)propionic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)OC2=CC=CC=C2C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(C1)OC2=CC=CC=C2C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C26H28N4O3/c1-16(27)30-11-10-21(15-30)33-24-5-3-2-4-22(24)23(26(31)32)13-17-6-7-18-8-9-19(25(28)29)14-20(18)12-17/h2-9,12,14,21,23,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)