(4-methoxy-4-oxidanylidene-butyl) 1-(3-chloranyl-4-methoxy-phenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Systemtic Name: (4-methoxy-4-oxidanylidene-butyl) 1-(3-chloranyl-4-methoxy-phenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Openeye Name: (4-methoxy-4-oxo-butyl) 1-(3-chloro-4-methoxy-phenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate CAS Name: 1-(3-chloro-4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid (4-methoxy-4-oxobutyl) ester IUPAC Name: (4-methoxy-4-oxobutyl) 1-(3-chloro-4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid (4-keto-4-methoxy-butyl) ester Formula: C24H25ClN2O5 MolecularWeight: 456.9187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(CCN2C(=O)OCCCC(=O)OC)C4=CC=CC=C4N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(CCN2C(=O)OCCCC(=O)OC)C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C24H25ClN2O5/c1-30-20-10-9-15(14-18(20)25)23-22-17(16-6-3-4-7-19(16)26-22)11-12-27(23)24(29)32-13-5-8-21(28)31-2/h3-4,6-7,9-10,14,23,26H,5,8,11-13H2,1-2H3