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

Systemtic Name: methyl 3-(2-propylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: methyl 3-(2-propylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[oxo-(2-propylphenyl)methyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-propylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(2-propylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1C(=O)C2=CC=C3N2CCCCC3C(=O)OC

Isomeric SMILES

CCCC1=CC=CC=C1C(=O)C2=CC=C3N2CCCCC3C(=O)OC

InChI

InChI=1S/C21H25NO3/c1-3-8-15-9-4-5-10-16(15)20(23)19-13-12-18-17(21(24)25-2)11-6-7-14-22(18)19/h4-5,9-10,12-13,17H,3,6-8,11,14H2,1-2H3