methyl (2R)-1-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydroazepine-2-carboxylate

Systemtic Name: methyl (2R)-1-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydroazepine-2-carboxylate Openeye Name: methyl (2R)-1-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydroazepine-2-carboxylate CAS Name: (2R)-1-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydroazepine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydroazepine-2-carboxylate Traditional Name: (2R)-1-p-anisyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid methyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC=CCCC2C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC=CCC[C@@H]2C(=O)OC

InChI

InChI=1S/C16H21NO3/c1-19-14-9-7-13(8-10-14)12-17-11-5-3-4-6-15(17)16(18)20-2/h3,5,7-10,15H,4,6,11-12H2,1-2H3/t15-/m1/s1