N-(7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)-4-chloranyl-butanamide

Systemtic Name: N-(7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)-4-chloranyl-butanamide Openeye Name: N-(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)-4-chloro-butanamide CAS Name: N-(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)-4-chlorobutanamide IUPAC Name: N-(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)-4-chlorobutanamide Traditional Name: N-(7-acetamido-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-yl)-4-chloro-butyramide Formula: C25H29ClN2O6 MolecularWeight: 488.96056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN2O6/c1-14(29)27-18-9-7-15-12-21(32-2)24(33-3)25(34-4)23(15)16-8-10-19(20(30)13-17(16)18)28-22(31)6-5-11-26/h8,10,12-13,18H,5-7,9,11H2,1-4H3,(H,27,29)(H,28,30,31)