3-[6-[4-[bis(azanyl)methylideneamino]butoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[6-[4-[bis(azanyl)methylideneamino]butoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-(4-guanidinobutoxy)-1H-indol-3-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[4-(diaminomethylideneamino)butoxy]-1H-indol-3-yl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[4-(diaminomethylideneamino)butoxy]-1H-indol-3-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-(4-guanidinobutoxy)-1H-indol-3-yl]-3-phenyl-propionic acid Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCCN=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCCN=C(N)N

InChI

InChI=1S/C22H26N4O3/c23-22(24)25-10-4-5-11-29-16-8-9-17-19(14-26-20(17)12-16)18(13-21(27)28)15-6-2-1-3-7-15/h1-3,6-9,12,14,18,26H,4-5,10-11,13H2,(H,27,28)(H4,23,24,25)