ethyl (E)-4-[(3S,9R,9aS)-5-oxidanylidene-9-propan-2-yl-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-yl]but-2-enoate

Systemtic Name: ethyl (E)-4-[(3S,9R,9aS)-5-oxidanylidene-9-propan-2-yl-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-yl]but-2-enoate Openeye Name: ethyl (E)-4-[(3S,9R,9aS)-9-isopropyl-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-yl]but-2-enoate CAS Name: (E)-4-[(3S,9R,9aS)-5-oxo-9-propan-2-yl-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(3S,9R,9aS)-5-oxo-9-propan-2-yl-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-yl]but-2-enoate Traditional Name: (E)-4-[(3S,9R,9aS)-9-isopropyl-5-keto-1,2,3,6,7,8,9,9a-octahydropyrrol[1,2-a]azepin-3-yl]but-2-enoic acid ethyl ester Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC1CCC2N1C(=O)CCCC2C(C)C

Isomeric SMILES

CCOC(=O)/C=C/C[C@@H]1CC[C@@H]2N1C(=O)CCC[C@@H]2C(C)C

InChI

InChI=1S/C18H29NO3/c1-4-22-18(21)10-5-7-14-11-12-16-15(13(2)3)8-6-9-17(20)19(14)16/h5,10,13-16H,4,6-9,11-12H2,1-3H3/b10-5+/t14-,15-,16+/m1/s1