ethyl 3-(3-acetamido-1-ethoxy-1-oxidanylidene-propan-2-yl)-6-chloranyl-indole-1-carboxylate

Systemtic Name: ethyl 3-(3-acetamido-1-ethoxy-1-oxidanylidene-propan-2-yl)-6-chloranyl-indole-1-carboxylate Openeye Name: ethyl 3-[1-(acetamidomethyl)-2-ethoxy-2-oxo-ethyl]-6-chloro-indole-1-carboxylate CAS Name: 3-(3-acetamido-1-ethoxy-1-oxopropan-2-yl)-6-chloro-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-acetamido-1-ethoxy-1-oxopropan-2-yl)-6-chloroindole-1-carboxylate Traditional Name: 3-[1-(acetamidomethyl)-2-ethoxy-2-keto-ethyl]-6-chloro-indole-1-carboxylic acid ethyl ester Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)C)C1=CN(C2=C1C=CC(=C2)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CNC(=O)C)C1=CN(C2=C1C=CC(=C2)Cl)C(=O)OCC

InChI

InChI=1S/C18H21ClN2O5/c1-4-25-17(23)14(9-20-11(3)22)15-10-21(18(24)26-5-2)16-8-12(19)6-7-13(15)16/h6-8,10,14H,4-5,9H2,1-3H3,(H,20,22)