prop-2-enyl (1R,6S)-6-[[3,5-bis(bromanyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: prop-2-enyl (1R,6S)-6-[[3,5-bis(bromanyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: allyl (1R,6S)-6-[(3,5-dibromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(3,5-dibromoanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (1R,6S)-6-[(3,5-dibromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(3,5-dibromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid allyl ester Formula: C17H17Br2NO3 MolecularWeight: 443.12978

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1CC=CCC1C(=O)NC2=CC(=CC(=C2)Br)Br

Isomeric SMILES

C=CCOC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC2=CC(=CC(=C2)Br)Br

InChI

InChI=1S/C17H17Br2NO3/c1-2-7-23-17(22)15-6-4-3-5-14(15)16(21)20-13-9-11(18)8-12(19)10-13/h2-4,8-10,14-15H,1,5-7H2,(H,20,21)/t14-,15+/m0/s1