actinium; 1-phenylethyl 2-methyl-5-oxidanyl-1H-indole-3-carboxylate

Systemtic Name: actinium; 1-phenylethyl 2-methyl-5-oxidanyl-1H-indole-3-carboxylate Openeye Name: actinium; 1-phenylethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate CAS Name: actinium; 5-hydroxy-2-methyl-1H-indole-3-carboxylic acid 1-phenylethyl ester IUPAC Name: actinium; 1-phenylethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate Traditional Name: actinium; 5-hydroxy-2-methyl-1H-indole-3-carboxylic acid 1-phenylethyl ester Formula: C18H17AcNO3 MolecularWeight: 522.360227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)O)C(=O)OC(C)C3=CC=CC=C3.[Ac]

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)O)C(=O)OC(C)C3=CC=CC=C3.[Ac]

InChI

InChI=1S/C18H17NO3.Ac/c1-11-17(15-10-14(20)8-9-16(15)19-11)18(21)22-12(2)13-6-4-3-5-7-13;/h3-10,12,19-20H,1-2H3;