6-[[3-methyl-4-(2-phenylethanoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-methyl-4-(2-phenylethanoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-methyl-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[3-methyl-4-[(1-oxo-2-phenylethyl)amino]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-methyl-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-methyl-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CC=CCC2C(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CC=CCC2C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4/c1-15-13-17(24-22(27)18-9-5-6-10-19(18)23(28)29)11-12-20(15)25-21(26)14-16-7-3-2-4-8-16/h2-8,11-13,18-19H,9-10,14H2,1H3,(H,24,27)(H,25,26)(H,28,29)