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

Systemtic Name: ethyl 2-[4-(acetyloxymethyl)furan-2-yl]carbonyl-6-chloranyl-3-(3-methylbutanoylamino)indole-1-carboxylate Openeye Name: ethyl 2-[4-(acetoxymethyl)furan-2-carbonyl]-6-chloro-3-(3-methylbutanoylamino)indole-1-carboxylate CAS Name: 2-[[4-(acetyloxymethyl)-2-furanyl]-oxomethyl]-6-chloro-3-[(3-methyl-1-oxobutyl)amino]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(acetyloxymethyl)furan-2-carbonyl]-6-chloro-3-(3-methylbutanoylamino)indole-1-carboxylate Traditional Name: 2-[4-(acetoxymethyl)-2-furoyl]-6-chloro-3-(isovalerylamino)indole-1-carboxylic acid ethyl ester Formula: C24H25ClN2O7 MolecularWeight: 488.9175

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(C=CC(=C2)Cl)C(=C1C(=O)C3=CC(=CO3)COC(=O)C)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)N1C2=C(C=CC(=C2)Cl)C(=C1C(=O)C3=CC(=CO3)COC(=O)C)NC(=O)CC(C)C

InChI

InChI=1S/C24H25ClN2O7/c1-5-32-24(31)27-18-10-16(25)6-7-17(18)21(26-20(29)8-13(2)3)22(27)23(30)19-9-15(12-34-19)11-33-14(4)28/h6-7,9-10,12-13H,5,8,11H2,1-4H3,(H,26,29)