(1S,6R)-6-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[(4-methoxyphenyl)methylamino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-3,4-dimethyl-6-(p-anisylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C18H22NO4- MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCC2=CC=C(C=C2)OC)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NCC2=CC=C(C=C2)OC)C(=O)[O-])C

InChI

InChI=1S/C18H23NO4/c1-11-8-15(16(18(21)22)9-12(11)2)17(20)19-10-13-4-6-14(23-3)7-5-13/h4-7,15-16H,8-10H2,1-3H3,(H,19,20)(H,21,22)/p-1/t15-,16+/m1/s1