ethyl 2-(acetamidomethyl)-6-bromanyl-5-methoxy-1-(2-methoxy-2-oxidanylidene-ethyl)indole-3-carboxylate

Systemtic Name: ethyl 2-(acetamidomethyl)-6-bromanyl-5-methoxy-1-(2-methoxy-2-oxidanylidene-ethyl)indole-3-carboxylate Openeye Name: ethyl 2-(acetamidomethyl)-6-bromo-5-methoxy-1-(2-methoxy-2-oxo-ethyl)indole-3-carboxylate CAS Name: 2-(acetamidomethyl)-6-bromo-5-methoxy-1-(2-methoxy-2-oxoethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(acetamidomethyl)-6-bromo-5-methoxy-1-(2-methoxy-2-oxoethyl)indole-3-carboxylate Traditional Name: 2-(acetamidomethyl)-6-bromo-1-(2-keto-2-methoxy-ethyl)-5-methoxy-indole-3-carboxylic acid ethyl ester Formula: C18H21BrN2O6 MolecularWeight: 441.27314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)CC(=O)OC)CNC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)CC(=O)OC)CNC(=O)C

InChI

InChI=1S/C18H21BrN2O6/c1-5-27-18(24)17-11-6-15(25-3)12(19)7-13(11)21(9-16(23)26-4)14(17)8-20-10(2)22/h6-7H,5,8-9H2,1-4H3,(H,20,22)