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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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