nonyl 2-ethyl-3-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: nonyl 2-ethyl-3-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: nonyl 3-benzoyl-2-ethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-benzoyl-2-ethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid nonyl ester IUPAC Name: nonyl 3-benzoyl-2-ethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-benzoyl-2-ethyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid nonyl ester Formula: C28H39NO3 MolecularWeight: 437.61416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1CCCCN2C1=CC(=C2C(=O)C3=CC=CC=C3)CC

Isomeric SMILES

CCCCCCCCCOC(=O)C1CCCCN2C1=CC(=C2C(=O)C3=CC=CC=C3)CC

InChI

InChI=1S/C28H39NO3/c1-3-5-6-7-8-9-15-20-32-28(31)24-18-13-14-19-29-25(24)21-22(4-2)26(29)27(30)23-16-11-10-12-17-23/h10-12,16-17,21,24H,3-9,13-15,18-20H2,1-2H3