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

Systemtic Name: 3,4-dimethyl-6-[(4-morpholin-4-ylcarbonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 3,4-dimethyl-6-[[4-[4-morpholinyl(oxo)methyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3)C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3)C(=O)O)C

InChI

InChI=1S/C21H26N2O5/c1-13-11-17(18(21(26)27)12-14(13)2)19(24)22-16-5-3-15(4-6-16)20(25)23-7-9-28-10-8-23/h3-6,17-18H,7-12H2,1-2H3,(H,22,24)(H,26,27)