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

Systemtic Name: methyl 3-(3-butylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: methyl 3-(3-butylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(3-butylphenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-butylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(3-butylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid methyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C(=O)C2=CC=C3N2CCCCC3C(=O)OC

Isomeric SMILES

CCCCC1=CC=CC(=C1)C(=O)C2=CC=C3N2CCCCC3C(=O)OC

InChI

InChI=1S/C22H27NO3/c1-3-4-8-16-9-7-10-17(15-16)21(24)20-13-12-19-18(22(25)26-2)11-5-6-14-23(19)20/h7,9-10,12-13,15,18H,3-6,8,11,14H2,1-2H3