tert-butyl 4-[2-[2-chloranylethanoyl(propyl)amino]-1-oxidanyl-ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-chloranylethanoyl(propyl)amino]-1-oxidanyl-ethyl]indole-1-carboxylate Openeye Name: tert-butyl 4-[2-[(2-chloroacetyl)-propyl-amino]-1-hydroxy-ethyl]indole-1-carboxylate CAS Name: 4-[2-[(2-chloro-1-oxoethyl)-propylamino]-1-hydroxyethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(2-chloroacetyl)-propylamino]-1-hydroxyethyl]indole-1-carboxylate Traditional Name: 4-[2-[(2-chloroacetyl)-propyl-amino]-1-hydroxy-ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C20H27ClN2O4 MolecularWeight: 394.89238

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(C1=C2C=CN(C2=CC=C1)C(=O)OC(C)(C)C)O)C(=O)CCl

Isomeric SMILES

CCCN(CC(C1=C2C=CN(C2=CC=C1)C(=O)OC(C)(C)C)O)C(=O)CCl

InChI

InChI=1S/C20H27ClN2O4/c1-5-10-22(18(25)12-21)13-17(24)15-7-6-8-16-14(15)9-11-23(16)19(26)27-20(2,3)4/h6-9,11,17,24H,5,10,12-13H2,1-4H3