(1S,3R)-1-butyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Systemtic Name: (1S,3R)-1-butyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Openeye Name: (1S,3R)-1-butyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate CAS Name: (1S,3R)-1-butyl-2-(1-oxopropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate IUPAC Name: (1S,3R)-1-butyl-2-propanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Traditional Name: (1S,3R)-1-butyl-2-propionyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylate Formula: C19H23N2O3- MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(CC(N1C(=O)CC)C(=O)[O-])C3=CC=CC=C3N2

Isomeric SMILES

CCCC[C@H]1C2=C(C[C@@H](N1C(=O)CC)C(=O)[O-])C3=CC=CC=C3N2

InChI

InChI=1S/C19H24N2O3/c1-3-5-10-15-18-13(12-8-6-7-9-14(12)20-18)11-16(19(23)24)21(15)17(22)4-2/h6-9,15-16,20H,3-5,10-11H2,1-2H3,(H,23,24)/p-1/t15-,16+/m0/s1