ethyl 4,6-bis(chloranyl)-3-[3-methoxy-1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 4,6-bis(chloranyl)-3-[3-methoxy-1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-(2-benzyl-1-hydroxy-3-methoxy-3-oxo-propyl)-4,6-dichloro-1H-indole-2-carboxylate CAS Name: 4,6-dichloro-3-[1-hydroxy-3-methoxy-3-oxo-2-(phenylmethyl)propyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-benzyl-1-hydroxy-3-methoxy-3-oxopropyl)-4,6-dichloro-1H-indole-2-carboxylate Traditional Name: 3-(2-benzyl-1-hydroxy-3-keto-3-methoxy-propyl)-4,6-dichloro-1H-indole-2-carboxylic acid ethyl ester Formula: C22H21Cl2NO5 MolecularWeight: 450.31184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C(C=C2N1)Cl)Cl)C(C(CC3=CC=CC=C3)C(=O)OC)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C(C=C2N1)Cl)Cl)C(C(CC3=CC=CC=C3)C(=O)OC)O

InChI

InChI=1S/C22H21Cl2NO5/c1-3-30-22(28)19-18(17-15(24)10-13(23)11-16(17)25-19)20(26)14(21(27)29-2)9-12-7-5-4-6-8-12/h4-8,10-11,14,20,25-26H,3,9H2,1-2H3