(4S)-2-cyclohexyl-1-oxidanylidene-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxylic acid

Systemtic Name: (4S)-2-cyclohexyl-1-oxidanylidene-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxylic acid Openeye Name: (4S)-2-cyclohexyl-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxylic acid CAS Name: (4S)-2-cyclohexyl-1-oxo-4-spiro[4H-isoquinoline-3,1'-cyclohexane]carboxylic acid IUPAC Name: (4S)-2-cyclohexyl-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxylic acid Traditional Name: (4S)-2-cyclohexyl-1-keto-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxylic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3C(C24CCCCC4)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3[C@@H](C24CCCCC4)C(=O)O

InChI

InChI=1S/C21H27NO3/c23-19-17-12-6-5-11-16(17)18(20(24)25)21(13-7-2-8-14-21)22(19)15-9-3-1-4-10-15/h5-6,11-12,15,18H,1-4,7-10,13-14H2,(H,24,25)/t18-/m1/s1