tert-butyl 5-acetyloxy-2-azanyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: tert-butyl 5-acetyloxy-2-azanyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: tert-butyl 5-acetoxy-2-amino-1-benzyl-indole-3-carboxylate CAS Name: 5-acetyloxy-2-amino-1-(phenylmethyl)-3-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-acetyloxy-2-amino-1-benzylindole-3-carboxylate Traditional Name: 5-acetoxy-2-amino-1-benzyl-indole-3-carboxylic acid tert-butyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)N(C(=C2C(=O)OC(C)(C)C)N)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)N(C(=C2C(=O)OC(C)(C)C)N)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-14(25)27-16-10-11-18-17(12-16)19(21(26)28-22(2,3)4)20(23)24(18)13-15-8-6-5-7-9-15/h5-12H,13,23H2,1-4H3