(1R,6S)-6-[(4-methoxycarbonylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(4-methoxycarbonylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(4-methoxycarbonylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(4-methoxycarbonylanilino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(4-methoxycarbonylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(4-carbomethoxyphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)O)C

InChI

InChI=1S/C18H21NO5/c1-10-8-14(15(17(21)22)9-11(10)2)16(20)19-13-6-4-12(5-7-13)18(23)24-3/h4-7,14-15H,8-9H2,1-3H3,(H,19,20)(H,21,22)/t14-,15+/m0/s1