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

Systemtic Name: (1R,6S)-6-[methyl-[(4-methylphenyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[methyl(p-tolylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[methyl-[(4-methylphenyl)methyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[methyl-[(4-methylphenyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[methyl-(4-methylbenzyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H20NO3- MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C17H21NO3/c1-12-7-9-13(10-8-12)11-18(2)16(19)14-5-3-4-6-15(14)17(20)21/h3-4,7-10,14-15H,5-6,11H2,1-2H3,(H,20,21)/p-1/t14-,15+/m0/s1