2-[(4-acetamido-3-methyl-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[(4-acetamido-3-methyl-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[(4-acetamido-3-methyl-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[(4-acetamido-3-methylanilino)-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[(4-acetamido-3-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[(4-acetamido-3-methyl-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3)NC(=O)C

InChI

InChI=1S/C18H20N2O4/c1-9-7-13(5-6-14(9)19-10(2)21)20-17(22)15-11-3-4-12(8-11)16(15)18(23)24/h3-7,11-12,15-16H,8H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)