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

Systemtic Name: (3S)-2-pentanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Openeye Name: (3S)-2-pentanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate CAS Name: (3S)-2-(1-oxopentyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate IUPAC Name: (3S)-2-pentanoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Traditional Name: (3S)-2-valeryl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylate Formula: C17H19N2O3- MolecularWeight: 299.34436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC2=C(CC1C(=O)[O-])C3=CC=CC=C3N2

Isomeric SMILES

CCCCC(=O)N1CC2=C(C[C@H]1C(=O)[O-])C3=CC=CC=C3N2

InChI

InChI=1S/C17H20N2O3/c1-2-3-8-16(20)19-10-14-12(9-15(19)17(21)22)11-6-4-5-7-13(11)18-14/h4-7,15,18H,2-3,8-10H2,1H3,(H,21,22)/p-1/t15-/m0/s1