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

Systemtic Name: methyl 2-[[3-[2-(tert-butylcarbamoyl)indol-1-yl]-2-oxidanyl-propyl]amino]benzoate Openeye Name: methyl 2-[[3-[2-(tert-butylcarbamoyl)indol-1-yl]-2-hydroxy-propyl]amino]benzoate CAS Name: 2-[[3-[2-[(tert-butylamino)-oxomethyl]-1-indolyl]-2-hydroxypropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-[2-(tert-butylcarbamoyl)indol-1-yl]-2-hydroxypropyl]amino]benzoate Traditional Name: 2-[[3-[2-(tert-butylcarbamoyl)indol-1-yl]-2-hydroxy-propyl]amino]benzoic acid methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC2=CC=CC=C2N1CC(CNC3=CC=CC=C3C(=O)OC)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC2=CC=CC=C2N1CC(CNC3=CC=CC=C3C(=O)OC)O

InChI

InChI=1S/C24H29N3O4/c1-24(2,3)26-22(29)21-13-16-9-5-8-12-20(16)27(21)15-17(28)14-25-19-11-7-6-10-18(19)23(30)31-4/h5-13,17,25,28H,14-15H2,1-4H3,(H,26,29)