ethyl (3aR,8aS)-1-butyl-8-oxidanylidene-7-(phenylmethyl)-2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]azepine-8a-carboxylate

Systemtic Name: ethyl (3aR,8aS)-1-butyl-8-oxidanylidene-7-(phenylmethyl)-2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]azepine-8a-carboxylate Openeye Name: ethyl (3aR,8aS)-7-benzyl-1-butyl-8-oxo-2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]azepine-8a-carboxylate CAS Name: (3aR,8aS)-1-butyl-8-oxo-7-(phenylmethyl)-2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]azepine-8a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,8aS)-7-benzyl-1-butyl-8-oxo-2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]azepine-8a-carboxylate Traditional Name: (3aR,8aS)-7-benzyl-1-butyl-8-keto-2,3,3a,4,5,6-hexahydropyrrol[2,3-c]azepine-8a-carboxylic acid ethyl ester Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2C1(C(=O)N(CCC2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCN1CC[C@@H]2[C@]1(C(=O)N(CCC2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H32N2O3/c1-3-5-15-24-16-13-19-12-9-14-23(17-18-10-7-6-8-11-18)20(25)22(19,24)21(26)27-4-2/h6-8,10-11,19H,3-5,9,12-17H2,1-2H3/t19-,22+/m1/s1