N-[(7S)-10-[(4-chlorophenyl)amino]-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide

Systemtic Name: N-[(7S)-10-[(4-chlorophenyl)amino]-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-10-(4-chloroanilino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-10-(4-chloroanilino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-10-(4-chloroanilino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-10-(4-chloroanilino)-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C27H27ClN2O5 MolecularWeight: 494.96668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NC4=CC=C(C=C4)Cl)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NC4=CC=C(C=C4)Cl)OC)OC)OC

InChI

InChI=1S/C27H27ClN2O5/c1-15(31)29-21-11-5-16-13-24(33-2)26(34-3)27(35-4)25(16)19-10-12-22(23(32)14-20(19)21)30-18-8-6-17(28)7-9-18/h6-10,12-14,21H,5,11H2,1-4H3,(H,29,31)(H,30,32)/t21-/m0/s1