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

Systemtic Name: 3-[6-[3-[bis(azanyl)methylideneamino]propoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-(3-guanidinopropoxy)-1H-indol-3-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[3-(diaminomethylideneamino)propoxy]-1H-indol-3-yl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[3-(diaminomethylideneamino)propoxy]-1H-indol-3-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-(3-guanidinopropoxy)-1H-indol-3-yl]-3-phenyl-propionic acid Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c22-21(23)24-9-4-10-28-15-7-8-16-18(13-25-19(16)11-15)17(12-20(26)27)14-5-2-1-3-6-14/h1-3,5-8,11,13,17,25H,4,9-10,12H2,(H,26,27)(H4,22,23,24)