(2S)-2-(1H-indol-3-yl)-4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

Systemtic Name: (2S)-2-(1H-indol-3-yl)-4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Openeye Name: (2S)-2-(1H-indol-3-yl)-4-oxo-4-tetralin-6-yl-butanoate CAS Name: (2S)-2-(1H-indol-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate IUPAC Name: (2S)-2-(1H-indol-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Traditional Name: (2S)-2-(1H-indol-3-yl)-4-keto-4-tetralin-6-yl-butyrate Formula: C22H20NO3- MolecularWeight: 346.3991

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)CC(C3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)C[C@@H](C3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C22H21NO3/c24-21(16-10-9-14-5-1-2-6-15(14)11-16)12-18(22(25)26)19-13-23-20-8-4-3-7-17(19)20/h3-4,7-11,13,18,23H,1-2,5-6,12H2,(H,25,26)/p-1/t18-/m0/s1