(1R,6R)-6-[[2-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[[2-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[[2-(p-tolylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[2-[(4-methylanilino)-oxomethyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[[2-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[[2-(p-tolylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H21N2O4- MolecularWeight: 377.41314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-]

InChI

InChI=1S/C22H22N2O4/c1-14-10-12-15(13-11-14)23-21(26)18-8-4-5-9-19(18)24-20(25)16-6-2-3-7-17(16)22(27)28/h2-5,8-13,16-17H,6-7H2,1H3,(H,23,26)(H,24,25)(H,27,28)/p-1/t16-,17-/m1/s1