3,4-dimethyl-6-[(4-phenylmethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 3,4-dimethyl-6-[(4-phenylmethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(4-benzyloxyphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 3,4-dimethyl-6-[oxo-(4-phenylmethoxyanilino)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 3,4-dimethyl-6-[(4-phenylmethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(4-benzoxyphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C23H25NO4/c1-15-12-20(21(23(26)27)13-16(15)2)22(25)24-18-8-10-19(11-9-18)28-14-17-6-4-3-5-7-17/h3-11,20-21H,12-14H2,1-2H3,(H,24,25)(H,26,27)