methyl (E)-3-[4-[3-(1-adamantyl)-5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-oxidanyl-phenyl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[3-(1-adamantyl)-5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-oxidanyl-phenyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[3-(1-adamantyl)-5-[(1,3-dioxoisoindolin-2-yl)methyl]-4-hydroxy-phenyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[3-(1-adamantyl)-5-[(1,3-dioxo-2-isoindolyl)methyl]-4-hydroxyphenyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[3-(1-adamantyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyphenyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-5-(phthalimidomethyl)phenyl]phenyl]acrylic acid methyl ester Formula: C35H33NO5 MolecularWeight: 547.64022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)C2=CC(=C(C(=C2)CN3C(=O)C4=CC=CC=C4C3=O)O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)C2=CC(=C(C(=C2)CN3C(=O)C4=CC=CC=C4C3=O)O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C35H33NO5/c1-41-31(37)11-8-21-6-9-25(10-7-21)26-15-27(20-36-33(39)28-4-2-3-5-29(28)34(36)40)32(38)30(16-26)35-17-22-12-23(18-35)14-24(13-22)19-35/h2-11,15-16,22-24,38H,12-14,17-20H2,1H3/b11-8+