propan-2-yl 2-methyl-5-(4-methylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: propan-2-yl 2-methyl-5-(4-methylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 2-methyl-5-(4-methylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 2-methyl-5-[(4-methylphenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methyl-5-(4-methylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 2-methyl-5-p-toluoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2CCCC(C3=CC(=CN23)C)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2CCCC(C3=CC(=CN23)C)C(=O)OC(C)C

InChI

InChI=1S/C22H27NO3/c1-14(2)26-22(25)18-6-5-7-19(23-13-16(4)12-20(18)23)21(24)17-10-8-15(3)9-11-17/h8-14,18-19H,5-7H2,1-4H3