tert-butyl 4-(2-oxidanylidenepropyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Systemtic Name: tert-butyl 4-(2-oxidanylidenepropyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Openeye Name: tert-butyl 4-acetonyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate CAS Name: 4-(2-oxopropyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-oxopropyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Traditional Name: 4-acetonyl-1-phenyl-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid tert-butyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)CC1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H28N2O3/c1-16(28)14-18-15-27(24(29)30-25(2,3)4)23(17-10-6-5-7-11-17)22-21(18)19-12-8-9-13-20(19)26-22/h5-13,18,23,26H,14-15H2,1-4H3