3-[7-carbamimidoyl-1-[4-(1-ethanoylpyrrol-3-yl)oxyphenyl]naphthalen-2-yl]propanoic acid

Systemtic Name: 3-[7-carbamimidoyl-1-[4-(1-ethanoylpyrrol-3-yl)oxyphenyl]naphthalen-2-yl]propanoic acid Openeye Name: 3-[1-[4-(1-acetylpyrrol-3-yl)oxyphenyl]-7-carbamimidoyl-2-naphthyl]propanoic acid CAS Name: 3-[1-[4-[(1-acetyl-3-pyrrolyl)oxy]phenyl]-7-carbamimidoyl-2-naphthalenyl]propanoic acid IUPAC Name: 3-[1-[4-(1-acetylpyrrol-3-yl)oxyphenyl]-7-carbamimidoylnaphthalen-2-yl]propanoic acid Traditional Name: 3-[1-[4-(1-acetylpyrrol-3-yl)oxyphenyl]-7-amidino-2-naphthyl]propionic acid Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC(=C1)OC2=CC=C(C=C2)C3=C(C=CC4=C3C=C(C=C4)C(=N)N)CCC(=O)O

Isomeric SMILES

CC(=O)N1C=CC(=C1)OC2=CC=C(C=C2)C3=C(C=CC4=C3C=C(C=C4)C(=N)N)CCC(=O)O

InChI

InChI=1S/C26H23N3O4/c1-16(30)29-13-12-22(15-29)33-21-9-6-19(7-10-21)25-18(8-11-24(31)32)4-2-17-3-5-20(26(27)28)14-23(17)25/h2-7,9-10,12-15H,8,11H2,1H3,(H3,27,28)(H,31,32)