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

Systemtic Name: propan-2-yl 3-(4-methoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(4-methoxyphenyl)-oxomethyl]-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)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-p-anisoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)OC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CC=C(C=C3)OC

InChI

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