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

Systemtic Name: 3-methylbutyl 2-methyl-3-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopentyl 3-benzoyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-benzoyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-benzoyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-benzoyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isoamyl ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCCCC(C2=C1)C(=O)OCCC(C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N2CCCCC(C2=C1)C(=O)OCCC(C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO3/c1-16(2)12-14-27-23(26)19-11-7-8-13-24-20(19)15-17(3)21(24)22(25)18-9-5-4-6-10-18/h4-6,9-10,15-16,19H,7-8,11-14H2,1-3H3