tert-butyl 1-(chloromethyl)-5-(prop-2-enoxycarbonylamino)-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl 1-(chloromethyl)-5-(prop-2-enoxycarbonylamino)-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl 5-(allyloxycarbonylamino)-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: 1-(chloromethyl)-5-[[oxo(prop-2-enoxy)methyl]amino]-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(chloromethyl)-5-(prop-2-enoxycarbonylamino)-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: 5-(allyloxycarbonylamino)-1-(chloromethyl)-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)NC(=O)OCC=C)CCl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)NC(=O)OCC=C)CCl

InChI

InChI=1S/C22H25ClN2O4/c1-5-10-28-20(26)24-17-11-18-19(16-9-7-6-8-15(16)17)14(12-23)13-25(18)21(27)29-22(2,3)4/h5-9,11,14H,1,10,12-13H2,2-4H3,(H,24,26)