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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C=NC3=C2C=CC(=C3)OCCCN=C(N)N)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2(C=NC3=C2C=CC(=C3)OCCCN=C(N)N)CCC(=O)O

InChI

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