propan-2-yl 3-(4-methoxyphenyl)carbonyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: propan-2-yl 3-(4-methoxyphenyl)carbonyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 3-(4-methoxybenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(4-methoxyphenyl)-oxomethyl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-methoxybenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 2-methyl-3-p-anisoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCCCC(C2=C1)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(N2CCCCC(C2=C1)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27NO4/c1-14(2)27-22(25)18-7-5-6-12-23-19(18)13-15(3)20(23)21(24)16-8-10-17(26-4)11-9-16/h8-11,13-14,18H,5-7,12H2,1-4H3