4-[[2-chloranyl-4-[3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-10-(phenylmethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-chloranyl-4-[3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-10-(phenylmethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(phenylmethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[4-(10-benzyl-1,8-diketo-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-chloro-phenoxy]methyl]benzoic acid Formula: C38H38ClNO5 MolecularWeight: 624.16502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2CC4=CC=CC=C4)CC(CC3=O)(C)C)C5=CC(=C(C=C5)OCC6=CC=C(C=C6)C(=O)O)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2CC4=CC=CC=C4)CC(CC3=O)(C)C)C5=CC(=C(C=C5)OCC6=CC=C(C=C6)C(=O)O)Cl)C(=O)C1)C

InChI

InChI=1S/C38H38ClNO5/c1-37(2)17-28-34(30(41)19-37)33(26-14-15-32(27(39)16-26)45-22-24-10-12-25(13-11-24)36(43)44)35-29(18-38(3,4)20-31(35)42)40(28)21-23-8-6-5-7-9-23/h5-16,33H,17-22H2,1-4H3,(H,43,44)