(1R,6S)-6-[(3-chloranyl-2,6-diethyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(3-chloranyl-2,6-diethyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(3-chloro-2,6-diethyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(3-chloro-2,6-diethylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(3-chloro-2,6-diethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(3-chloro-2,6-diethyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H22ClNO3 MolecularWeight: 335.82518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2CC=CCC2C(=O)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)[C@H]2CC=CC[C@H]2C(=O)O

InChI

InChI=1S/C18H22ClNO3/c1-3-11-9-10-15(19)12(4-2)16(11)20-17(21)13-7-5-6-8-14(13)18(22)23/h5-6,9-10,13-14H,3-4,7-8H2,1-2H3,(H,20,21)(H,22,23)/t13-,14+/m0/s1