methyl 2-[[3-[2-(tert-butylcarbamoyl)-5-chloranyl-indol-1-yl]-2-oxidanyl-propyl]amino]benzoate

Systemtic Name: methyl 2-[[3-[2-(tert-butylcarbamoyl)-5-chloranyl-indol-1-yl]-2-oxidanyl-propyl]amino]benzoate Openeye Name: methyl 2-[[3-[2-(tert-butylcarbamoyl)-5-chloro-indol-1-yl]-2-hydroxy-propyl]amino]benzoate CAS Name: 2-[[3-[2-[(tert-butylamino)-oxomethyl]-5-chloro-1-indolyl]-2-hydroxypropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-[2-(tert-butylcarbamoyl)-5-chloroindol-1-yl]-2-hydroxypropyl]amino]benzoate Traditional Name: 2-[[3-[2-(tert-butylcarbamoyl)-5-chloro-indol-1-yl]-2-hydroxy-propyl]amino]benzoic acid methyl ester Formula: C24H28ClN3O4 MolecularWeight: 457.94982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC2=C(N1CC(CNC3=CC=CC=C3C(=O)OC)O)C=CC(=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC2=C(N1CC(CNC3=CC=CC=C3C(=O)OC)O)C=CC(=C2)Cl

InChI

InChI=1S/C24H28ClN3O4/c1-24(2,3)27-22(30)21-12-15-11-16(25)9-10-20(15)28(21)14-17(29)13-26-19-8-6-5-7-18(19)23(31)32-4/h5-12,17,26,29H,13-14H2,1-4H3,(H,27,30)