3-[1-(2-imidazol-1-ylethyl)indol-3-yl]propanoate

Systemtic Name: 3-[1-(2-imidazol-1-ylethyl)indol-3-yl]propanoate Openeye Name: 3-[1-(2-imidazol-1-ylethyl)indol-3-yl]propanoate CAS Name: 3-[1-[2-(1-imidazolyl)ethyl]-3-indolyl]propanoate IUPAC Name: 3-[1-(2-imidazol-1-ylethyl)indol-3-yl]propanoate Traditional Name: 3-[1-(2-imidazol-1-ylethyl)indol-3-yl]propionate Formula: C16H16N3O2- MolecularWeight: 282.31714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCN3C=CN=C3)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCN3C=CN=C3)CCC(=O)[O-]

InChI

InChI=1S/C16H17N3O2/c20-16(21)6-5-13-11-19(10-9-18-8-7-17-12-18)15-4-2-1-3-14(13)15/h1-4,7-8,11-12H,5-6,9-10H2,(H,20,21)/p-1