methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxidanyl-prop-2-enyl]-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxidanyl-prop-2-enyl]-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(2-tert-butoxycarbonyl-1-hydroxy-allyl)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy-oxomethyl]prop-2-enyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl]-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(2-tert-butoxycarbonyl-1-hydroxy-allyl)-9H-$b-carboline-3-carboxylic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=C)C(C1=C2C(=CC(=N1)C(=O)OC)C3=CC=CC=C3N2)O

Isomeric SMILES

CC(C)(C)OC(=O)C(=C)C(C1=C2C(=CC(=N1)C(=O)OC)C3=CC=CC=C3N2)O

InChI

InChI=1S/C21H22N2O5/c1-11(19(25)28-21(2,3)4)18(24)17-16-13(10-15(23-17)20(26)27-5)12-8-6-7-9-14(12)22-16/h6-10,18,22,24H,1H2,2-5H3