(1S,6R)-6-[(4-benzamido-3-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(4-benzamido-3-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(4-benzamido-3-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(4-benzamido-3-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(4-benzamido-3-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(4-benzamido-3-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H21N2O4- MolecularWeight: 377.41314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CC=CCC2C(=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-14-13-16(23-21(26)17-9-5-6-10-18(17)22(27)28)11-12-19(14)24-20(25)15-7-3-2-4-8-15/h2-8,11-13,17-18H,9-10H2,1H3,(H,23,26)(H,24,25)(H,27,28)/p-1/t17-,18+/m1/s1