7-[(2-hydroxyphenyl)methyl-methyl-amino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one

Systemtic Name: 7-[(2-hydroxyphenyl)methyl-methyl-amino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: 7-[(2-hydroxyphenyl)methyl-methyl-amino]-10-(isobutylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-10-(2-methylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: 10-(isobutylamino)-1,2,3-trimethoxy-7-[methyl(salicyl)amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N(C)CC4=CC=CC=C4O

Isomeric SMILES

CC(C)CNC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N(C)CC4=CC=CC=C4O

InChI

InChI=1S/C31H38N2O5/c1-19(2)17-32-24-13-12-22-23(16-27(24)35)25(33(3)18-21-9-7-8-10-26(21)34)14-11-20-15-28(36-4)30(37-5)31(38-6)29(20)22/h7-10,12-13,15-16,19,25,34H,11,14,17-18H2,1-6H3,(H,32,35)