(E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-5-chloranyl-2-methoxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-5-chloranyl-2-methoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-[3-(1-adamantyl)-4-benzyloxy-phenyl]-5-chloro-2-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-5-chloro-2-methoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-5-chloro-2-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-[3-(1-adamantyl)-4-benzoxy-phenyl]-5-chloro-2-methoxy-phenyl]acrylate Formula: C33H32ClO4- MolecularWeight: 528.05778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)Cl)C=CC(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)Cl)/C=C/C(=O)[O-]

InChI

InChI=1S/C33H33ClO4/c1-37-32-26(8-10-31(35)36)14-27(34)16-28(32)25-7-9-30(38-20-21-5-3-2-4-6-21)29(15-25)33-17-22-11-23(18-33)13-24(12-22)19-33/h2-10,14-16,22-24H,11-13,17-20H2,1H3,(H,35,36)/p-1/b10-8+