2-[9-(3-chloranyl-4-prop-2-ynoxy-phenyl)-3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-4,5,7,9-tetrahydro-2H-acridin-10-yl]ethanoic acid

Systemtic Name: 2-[9-(3-chloranyl-4-prop-2-ynoxy-phenyl)-3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-4,5,7,9-tetrahydro-2H-acridin-10-yl]ethanoic acid Openeye Name: 2-[9-(3-chloro-4-prop-2-ynoxy-phenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid CAS Name: 2-[9-(3-chloro-4-prop-2-ynoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid IUPAC Name: 2-[9-(3-chloro-4-prop-2-ynoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid Traditional Name: 2-[9-(3-chloro-4-propargyloxy-phenyl)-1,8-diketo-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid Formula: C28H30ClNO5 MolecularWeight: 495.9945

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2CC(=O)O)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC#C)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2CC(=O)O)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC#C)Cl)C(=O)C1)C

InChI

InChI=1S/C28H30ClNO5/c1-6-9-35-22-8-7-16(10-17(22)29)24-25-18(11-27(2,3)13-20(25)31)30(15-23(33)34)19-12-28(4,5)14-21(32)26(19)24/h1,7-8,10,24H,9,11-15H2,2-5H3,(H,33,34)