ethyl N-[(7S)-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate

Systemtic Name: ethyl N-[(7S)-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate Openeye Name: ethyl N-[(7S)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate CAS Name: N-[(7S)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(7S)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate Traditional Name: N-[(7S)-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamic acid ethyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c1-5-29-22(25)23-17-10-9-13-11-18(26-2)20(27-3)21(28-4)19(13)15-8-6-7-14(24)12-16(15)17/h6-8,11-12,17H,5,9-10H2,1-4H3,(H,23,25)/t17-/m0/s1