nonyl 3-(4-bromophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: nonyl 3-(4-bromophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: nonyl 3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid nonyl ester IUPAC Name: nonyl 3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid nonyl ester Formula: C26H34BrNO3 MolecularWeight: 488.45706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34BrNO3/c1-2-3-4-5-6-7-10-19-31-26(30)22-11-8-9-18-28-23(22)16-17-24(28)25(29)20-12-14-21(27)15-13-20/h12-17,22H,2-11,18-19H2,1H3