2-[(2S,3S,4S)-2-(1H-indol-3-yl)-1-methanoyl-3-methyl-piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[(2S,3S,4S)-2-(1H-indol-3-yl)-1-methanoyl-3-methyl-piperidin-4-yl]ethanoic acid Openeye Name: 2-[(2S,3S,4S)-1-formyl-2-(1H-indol-3-yl)-3-methyl-4-piperidyl]acetic acid CAS Name: 2-[(2S,3S,4S)-1-formyl-2-(1H-indol-3-yl)-3-methyl-4-piperidinyl]acetic acid IUPAC Name: 2-[(2S,3S,4S)-1-formyl-2-(1H-indol-3-yl)-3-methylpiperidin-4-yl]acetic acid Traditional Name: 2-[(2S,3S,4S)-1-formyl-2-(1H-indol-3-yl)-3-methyl-4-piperidyl]acetic acid Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCN(C1C2=CNC3=CC=CC=C32)C=O)CC(=O)O

Isomeric SMILES

C[C@H]1[C@@H](CCN([C@@H]1C2=CNC3=CC=CC=C32)C=O)CC(=O)O

InChI

InChI=1S/C17H20N2O3/c1-11-12(8-16(21)22)6-7-19(10-20)17(11)14-9-18-15-5-3-2-4-13(14)15/h2-5,9-12,17-18H,6-8H2,1H3,(H,21,22)/t11-,12-,17-/m0/s1