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

Systemtic Name: 3-(2-methoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(2-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[(2-methoxyphenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(2-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-o-anisoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C2=CC=C3N2CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)C2=CC=C3N2CCCCC3C(=O)O

InChI

InChI=1S/C18H19NO4/c1-23-16-8-3-2-7-13(16)17(20)15-10-9-14-12(18(21)22)6-4-5-11-19(14)15/h2-3,7-10,12H,4-6,11H2,1H3,(H,21,22)