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

Systemtic Name: 3-(4-propan-2-yloxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(4-isopropoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[oxo-(4-propan-2-yloxyphenyl)methyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(4-propan-2-yloxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(4-isopropoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4/c1-13(2)25-15-8-6-14(7-9-15)19(22)18-11-10-17-16(20(23)24)5-3-4-12-21(17)18/h6-11,13,16H,3-5,12H2,1-2H3,(H,23,24)