(1R,6S)-6-(3,4-dimethoxyphenyl)carbonylcyclohex-3-ene-1-carboxylic acid; (1R)-1-phenylethanamine

Systemtic Name: (1R,6S)-6-(3,4-dimethoxyphenyl)carbonylcyclohex-3-ene-1-carboxylic acid; (1R)-1-phenylethanamine Openeye Name: (1R,6S)-6-(3,4-dimethoxybenzoyl)cyclohex-3-ene-1-carboxylic acid; (1R)-1-phenylethanamine CAS Name: (1R,6S)-6-[(3,4-dimethoxyphenyl)-oxomethyl]-1-cyclohex-3-enecarboxylic acid; (1R)-1-phenylethanamine IUPAC Name: (1R,6S)-6-(3,4-dimethoxybenzoyl)cyclohex-3-ene-1-carboxylic acid; (1R)-1-phenylethanamine Traditional Name: [(1R)-1-phenylethyl]amine; (1R,6S)-6-veratroylcyclohex-3-ene-1-carboxylic acid Formula: C24H29NO5 MolecularWeight: 411.49076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N.COC1=C(C=C(C=C1)C(=O)C2CC=CCC2C(=O)O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N.COC1=C(C=C(C=C1)C(=O)[C@H]2CC=CC[C@H]2C(=O)O)OC

InChI

InChI=1S/C16H18O5.C8H11N/c1-20-13-8-7-10(9-14(13)21-2)15(17)11-5-3-4-6-12(11)16(18)19;1-7(9)8-5-3-2-4-6-8/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19);2-7H,9H2,1H3/t11-,12+;7-/m01/s1