tert-butyl 1-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enyl-amino]-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl 1-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enyl-amino]-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl 5-[allyl(tert-butoxycarbonyl)amino]-1-(hydroxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: 1-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]-prop-2-enylamino]-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: 5-[allyl(tert-butoxycarbonyl)amino]-1-methylol-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)N(CC=C)C(=O)OC(C)(C)C)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)N(CC=C)C(=O)OC(C)(C)C)CO

InChI

InChI=1S/C26H34N2O5/c1-8-13-27(23(30)32-25(2,3)4)20-14-21-22(19-12-10-9-11-18(19)20)17(16-29)15-28(21)24(31)33-26(5,6)7/h8-12,14,17,29H,1,13,15-16H2,2-7H3