2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid; 6-(dimethylamino)-4,4-diphenyl-heptan-3-one

Systemtic Name: 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid; 6-(dimethylamino)-4,4-diphenyl-heptan-3-one Openeye Name: 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid; 6-(dimethylamino)-4,4-diphenyl-heptan-3-one CAS Name: 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid; 6-(dimethylamino)-4,4-diphenyl-3-heptanone IUPAC Name: 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid; 6-(dimethylamino)-4,4-diphenylheptan-3-one Traditional Name: 2-(1,8-diethyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid; 6-(dimethylamino)-4,4-diphenyl-heptan-3-one Formula: C38H48N2O4 MolecularWeight: 596.79872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H27NO.C17H21NO3/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h6-15,17H,5,16H2,1-4H3;5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)