ethyl 2-[4-(acetyloxymethyl)furan-2-yl]carbonyl-6-chloranyl-3-(propanoylamino)indole-1-carboxylate

Systemtic Name: ethyl 2-[4-(acetyloxymethyl)furan-2-yl]carbonyl-6-chloranyl-3-(propanoylamino)indole-1-carboxylate Openeye Name: ethyl 2-[4-(acetoxymethyl)furan-2-carbonyl]-6-chloro-3-(propanoylamino)indole-1-carboxylate CAS Name: 2-[[4-(acetyloxymethyl)-2-furanyl]-oxomethyl]-6-chloro-3-(1-oxopropylamino)-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(acetyloxymethyl)furan-2-carbonyl]-6-chloro-3-(propanoylamino)indole-1-carboxylate Traditional Name: 2-[4-(acetoxymethyl)-2-furoyl]-6-chloro-3-propionamido-indole-1-carboxylic acid ethyl ester Formula: C22H21ClN2O7 MolecularWeight: 460.86434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(N(C2=C1C=CC(=C2)Cl)C(=O)OCC)C(=O)C3=CC(=CO3)COC(=O)C

Isomeric SMILES

CCC(=O)NC1=C(N(C2=C1C=CC(=C2)Cl)C(=O)OCC)C(=O)C3=CC(=CO3)COC(=O)C

InChI

InChI=1S/C22H21ClN2O7/c1-4-18(27)24-19-15-7-6-14(23)9-16(15)25(22(29)30-5-2)20(19)21(28)17-8-13(11-32-17)10-31-12(3)26/h6-9,11H,4-5,10H2,1-3H3,(H,24,27)