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

Systemtic Name: propan-2-yl 2-methyl-3-(2-propylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 2-methyl-3-(2-propylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 2-methyl-3-[oxo-(2-propylphenyl)methyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methyl-3-(2-propylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 2-methyl-3-(2-propylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1C(=O)C2=C(C=C3N2CCCCC3C(=O)OC(C)C)C

Isomeric SMILES

CCCC1=CC=CC=C1C(=O)C2=C(C=C3N2CCCCC3C(=O)OC(C)C)C

InChI

InChI=1S/C24H31NO3/c1-5-10-18-11-6-7-12-19(18)23(26)22-17(4)15-21-20(24(27)28-16(2)3)13-8-9-14-25(21)22/h6-7,11-12,15-16,20H,5,8-10,13-14H2,1-4H3