2-[2-[2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-(4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl)ethylcarbamoyl]benzoic acid CAS Name: 2-[[2-[2,2-dimethyl-4-(phenylmethyl)-4-oxanyl]ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-(4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl)ethylcarbamoyl]benzoic acid Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CCNC(=O)C2=CC=CC=C2C(=O)O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(CCO1)(CCNC(=O)C2=CC=CC=C2C(=O)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H29NO4/c1-23(2)17-24(13-15-29-23,16-18-8-4-3-5-9-18)12-14-25-21(26)19-10-6-7-11-20(19)22(27)28/h3-11H,12-17H2,1-2H3,(H,25,26)(H,27,28)