2-[2-[(4S)-2,2-dimethyl-4-phenyl-oxan-4-yl]ethylcarbamoyl]benzoate

Systemtic Name: 2-[2-[(4S)-2,2-dimethyl-4-phenyl-oxan-4-yl]ethylcarbamoyl]benzoate Openeye Name: 2-[2-[(4S)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]ethylcarbamoyl]benzoate CAS Name: 2-[[2-[(4S)-2,2-dimethyl-4-phenyl-4-oxanyl]ethylamino]-oxomethyl]benzoate IUPAC Name: 2-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethylcarbamoyl]benzoate Traditional Name: 2-[2-[(4S)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]ethylcarbamoyl]benzoate Formula: C23H26NO4- MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CCNC(=O)C2=CC=CC=C2C(=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC1(C[C@@](CCO1)(CCNC(=O)C2=CC=CC=C2C(=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C23H27NO4/c1-22(2)16-23(13-15-28-22,17-8-4-3-5-9-17)12-14-24-20(25)18-10-6-7-11-19(18)21(26)27/h3-11H,12-16H2,1-2H3,(H,24,25)(H,26,27)/p-1/t23-/m0/s1