ethyl 5-chloranyl-3-iodanyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-iodanyl-1-(pyridin-4-ylmethyl)indole-2-carboxylate Openeye Name: ethyl 5-chloro-3-iodo-1-(4-pyridylmethyl)indole-2-carboxylate CAS Name: 5-chloro-3-iodo-1-(pyridin-4-ylmethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-iodo-1-(pyridin-4-ylmethyl)indole-2-carboxylate Traditional Name: 5-chloro-3-iodo-1-(4-pyridylmethyl)indole-2-carboxylic acid ethyl ester Formula: C17H14ClIN2O2 MolecularWeight: 440.66273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC3=CC=NC=C3)C=CC(=C2)Cl)I

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC3=CC=NC=C3)C=CC(=C2)Cl)I

InChI

InChI=1S/C17H14ClIN2O2/c1-2-23-17(22)16-15(19)13-9-12(18)3-4-14(13)21(16)10-11-5-7-20-8-6-11/h3-9H,2,10H2,1H3