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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)OC(CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(C1)OC(CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)(C4=CC=CC=C4)C(=O)O

InChI

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