3-methyl-6-[(4-propylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 3-methyl-6-[(4-propylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 3-methyl-6-[(4-propylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 3-methyl-6-[oxo-(4-propylanilino)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 3-methyl-6-[(4-propylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 3-methyl-6-[(4-propylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C2CC=C(CC2C(=O)O)C

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)C2CC=C(CC2C(=O)O)C

InChI

InChI=1S/C18H23NO3/c1-3-4-13-6-8-14(9-7-13)19-17(20)15-10-5-12(2)11-16(15)18(21)22/h5-9,15-16H,3-4,10-11H2,1-2H3,(H,19,20)(H,21,22)