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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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