3-[6-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]propoxy]-1H-indol-3-yl]-2-phenyl-propanoic acid

Systemtic Name: 3-[6-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]propoxy]-1H-indol-3-yl]-2-phenyl-propanoic acid Openeye Name: 3-[6-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]propoxy]-1H-indol-3-yl]-2-phenyl-propanoic acid CAS Name: 3-[6-[3-[[(cyanoamino)-methyliminomethyl]amino]propoxy]-1H-indol-3-yl]-2-phenylpropanoic acid IUPAC Name: 3-[6-[3-[(N-cyano-N'-methylcarbamimidoyl)amino]propoxy]-1H-indol-3-yl]-2-phenylpropanoic acid Traditional Name: 3-[6-[3-[(N-cyano-N'-methyl-amidino)amino]propoxy]-1H-indol-3-yl]-2-phenyl-propionic acid Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCCOC1=CC2=C(C=C1)C(=CN2)CC(C3=CC=CC=C3)C(=O)O)NC#N

Isomeric SMILES

CN=C(NCCCOC1=CC2=C(C=C1)C(=CN2)CC(C3=CC=CC=C3)C(=O)O)NC#N

InChI

InChI=1S/C23H25N5O3/c1-25-23(28-15-24)26-10-5-11-31-18-8-9-19-17(14-27-21(19)13-18)12-20(22(29)30)16-6-3-2-4-7-16/h2-4,6-9,13-14,20,27H,5,10-12H2,1H3,(H,29,30)(H2,25,26,28)