tert-butyl 3-[(2S)-2-azanyl-3-ethoxy-3-oxidanylidene-propyl]-2-bromanyl-5-methoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2S)-2-azanyl-3-ethoxy-3-oxidanylidene-propyl]-2-bromanyl-5-methoxy-indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-2-amino-3-ethoxy-3-oxo-propyl]-2-bromo-5-methoxy-indole-1-carboxylate CAS Name: 3-[(2S)-2-amino-3-ethoxy-3-oxopropyl]-2-bromo-5-methoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2S)-2-amino-3-ethoxy-3-oxopropyl]-2-bromo-5-methoxyindole-1-carboxylate Traditional Name: 3-[(2S)-2-amino-3-ethoxy-3-keto-propyl]-2-bromo-5-methoxy-indole-1-carboxylic acid tert-butyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)OC(C)(C)C)Br)N

Isomeric SMILES

CCOC(=O)[C@H](CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)OC(C)(C)C)Br)N

InChI

InChI=1S/C19H25BrN2O5/c1-6-26-17(23)14(21)10-13-12-9-11(25-5)7-8-15(12)22(16(13)20)18(24)27-19(2,3)4/h7-9,14H,6,10,21H2,1-5H3/t14-/m0/s1