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

Systemtic Name: methyl 3-(4-propan-2-yloxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: methyl 3-(4-isopropoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[oxo-(4-propan-2-yloxyphenyl)methyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-propan-2-yloxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(4-isopropoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid methyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCCC3C(=O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCCC3C(=O)OC

InChI

InChI=1S/C21H25NO4/c1-14(2)26-16-9-7-15(8-10-16)20(23)19-12-11-18-17(21(24)25-3)6-4-5-13-22(18)19/h7-12,14,17H,4-6,13H2,1-3H3