methyl 7-[(E)-pent-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: methyl 7-[(E)-pent-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: methyl 7-[(E)-pent-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-[(E)-pent-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylic acid methyl ester IUPAC Name: methyl 7-[(E)-pent-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-[(E)-pent-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylic acid methyl ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1=CCCCCN1C(=O)OC

Isomeric SMILES

CCC/C=C/C1=CCCCCN1C(=O)OC

InChI

InChI=1S/C13H21NO2/c1-3-4-6-9-12-10-7-5-8-11-14(12)13(15)16-2/h6,9-10H,3-5,7-8,11H2,1-2H3/b9-6+