(E)-3-[4-[3-(1-adamantyl)-4-(2-morpholin-4-ylethylcarbamoyloxy)phenyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-4-(2-morpholin-4-ylethylcarbamoyloxy)phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(1-adamantyl)-4-(2-morpholinoethylcarbamoyloxy)phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[3-(1-adamantyl)-4-[[2-(4-morpholinyl)ethylamino]-oxomethoxy]phenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-4-(2-morpholin-4-ylethylcarbamoyloxy)phenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-(2-morpholinoethylcarbamoyloxy)phenyl]phenyl]acrylic acid Formula: C32H38N2O5 MolecularWeight: 530.65452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)OC2=C(C=C(C=C2)C3=CC=C(C=C3)C=CC(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCCN1CCNC(=O)OC2=C(C=C(C=C2)C3=CC=C(C=C3)/C=C/C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H38N2O5/c35-30(36)8-3-22-1-4-26(5-2-22)27-6-7-29(39-31(37)33-9-10-34-11-13-38-14-12-34)28(18-27)32-19-23-15-24(20-32)17-25(16-23)21-32/h1-8,18,23-25H,9-17,19-21H2,(H,33,37)(H,35,36)/b8-3+