(phenylmethyl) 7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: (phenylmethyl) 7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CCCCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CCCCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H25NO2/c1-2-3-12-17-13-8-5-9-14-19(17)18(20)21-15-16-10-6-4-7-11-16/h4,6-7,10-11,13H,2-3,5,8-9,12,14-15H2,1H3