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

Systemtic Name: propan-2-yl 3-(3-butylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3/c1-4-5-9-18-10-8-11-19(16-18)23(26)22-14-13-21-20(24(27)28-17(2)3)12-6-7-15-25(21)22/h8,10-11,13-14,16-17,20H,4-7,9,12,15H2,1-3H3