6-[[3-[(3-methylphenyl)carbamoyl]-4-morpholin-4-yl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-[(3-methylphenyl)carbamoyl]-4-morpholin-4-yl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-morpholino-3-(m-tolylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[3-[(3-methylanilino)-oxomethyl]-4-(4-morpholinyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-[(3-methylphenyl)carbamoyl]-4-morpholin-4-ylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-morpholino-3-(m-tolylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CC=CCC3C(=O)O)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CC=CCC3C(=O)O)N4CCOCC4

InChI

InChI=1S/C26H29N3O5/c1-17-5-4-6-18(15-17)27-25(31)22-16-19(9-10-23(22)29-11-13-34-14-12-29)28-24(30)20-7-2-3-8-21(20)26(32)33/h2-6,9-10,15-16,20-21H,7-8,11-14H2,1H3,(H,27,31)(H,28,30)(H,32,33)