3-[5-[2-[bis(azanyl)methylideneamino]oxyethoxy]indol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[2-[bis(azanyl)methylideneamino]oxyethoxy]indol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-(2-guanidinooxyethoxy)indol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[2-(diaminomethylideneamino)oxyethoxy]-1-indolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[2-(diaminomethylideneamino)oxyethoxy]indol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-(2-guanidinooxyethoxy)indol-1-yl]-3-phenyl-propionic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=CC3=C2C=CC(=C3)OCCON=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=CC3=C2C=CC(=C3)OCCON=C(N)N

InChI

InChI=1S/C20H22N4O4/c21-20(22)23-28-11-10-27-16-6-7-17-15(12-16)8-9-24(17)18(13-19(25)26)14-4-2-1-3-5-14/h1-9,12,18H,10-11,13H2,(H,25,26)(H4,21,22,23)