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

Systemtic Name: propan-2-yl 2-methyl-3-(3-methylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 2-methyl-3-(3-methylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 2-methyl-3-[(3-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-3-(3-methylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 2-methyl-3-m-toluoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)OC(C)C)C

InChI

InChI=1S/C22H27NO3/c1-14(2)26-22(25)18-10-5-6-11-23-19(18)13-16(4)20(23)21(24)17-9-7-8-15(3)12-17/h7-9,12-14,18H,5-6,10-11H2,1-4H3