N-[(7S)-10-tert-butyl-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide

Systemtic Name: N-[(7S)-10-tert-butyl-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-10-tert-butyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-10-tert-butyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-10-tert-butyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-10-tert-butyl-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)C(C)(C)C)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)C(C)(C)C)OC)OC)OC

InChI

InChI=1S/C25H31NO5/c1-14(27)26-19-11-8-15-12-21(29-5)23(30-6)24(31-7)22(15)16-9-10-18(25(2,3)4)20(28)13-17(16)19/h9-10,12-13,19H,8,11H2,1-7H3,(H,26,27)/t19-/m0/s1