2-[(2,2-dimethyloxan-4-yl)-(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(2,2-dimethyloxan-4-yl)-(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(2,2-dimethyltetrahydropyran-4-yl)-(1-phenylethyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[(2,2-dimethyl-4-oxanyl)-(1-phenylethyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(2,2-dimethyloxan-4-yl)-(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(2,2-dimethyltetrahydropyran-4-yl)-(1-phenylethyl)carbamoyl]cyclohexanecarboxylic acid Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C2CCOC(C2)(C)C)C(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)N(C2CCOC(C2)(C)C)C(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C23H33NO4/c1-16(17-9-5-4-6-10-17)24(18-13-14-28-23(2,3)15-18)21(25)19-11-7-8-12-20(19)22(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,26,27)