3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidene-cyclohexyl]propanoic acid

Systemtic Name: 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidene-cyclohexyl]propanoic acid Openeye Name: 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-6-isopropylidene-2,3-dimethyl-cyclohexyl]propanoic acid CAS Name: 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoic acid IUPAC Name: 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoic acid Traditional Name: 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-6-isopropylidene-2,3-dimethyl-cyclohexyl]propionic acid Formula: C23H31NO2 MolecularWeight: 353.49774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=C(C)C)C(C1(C)CC2=CNC3=CC=CC=C32)CCC(=O)O

Isomeric SMILES

C[C@@H]1CCC(=C(C)C)[C@H]([C@]1(C)CC2=CNC3=CC=CC=C32)CCC(=O)O

InChI

InChI=1S/C23H31NO2/c1-15(2)18-10-9-16(3)23(4,20(18)11-12-22(25)26)13-17-14-24-21-8-6-5-7-19(17)21/h5-8,14,16,20,24H,9-13H2,1-4H3,(H,25,26)/t16-,20-,23-/m1/s1