(7S)-7-azanyl-10-(2-hydroxyethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one

Systemtic Name: (7S)-7-azanyl-10-(2-hydroxyethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: (7S)-7-amino-10-(2-hydroxyethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: (7S)-7-amino-10-(2-hydroxyethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: (7S)-7-amino-10-(2-hydroxyethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: (7S)-7-amino-10-(2-hydroxyethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)NCCO)N)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)NCCO)N)OC)OC

InChI

InChI=1S/C21H26N2O5/c1-26-18-10-12-4-6-15(22)14-11-17(25)16(23-8-9-24)7-5-13(14)19(12)21(28-3)20(18)27-2/h5,7,10-11,15,24H,4,6,8-9,22H2,1-3H3,(H,23,25)/t15-/m0/s1