ethyl 7-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: ethyl 7-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-2-oxidanylidene-chromene-3-carboxylate Openeye Name: ethyl 7-[3-(1-adamantyl)-4-benzyloxy-phenyl]-2-oxo-chromene-3-carboxylate CAS Name: 7-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-2-oxochromene-3-carboxylate Traditional Name: 7-[3-(1-adamantyl)-4-benzoxy-phenyl]-2-keto-chromene-3-carboxylic acid ethyl ester Formula: C35H34O5 MolecularWeight: 534.64146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C(C=C2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6)OC1=O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C(C=C2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6)OC1=O

InChI

InChI=1S/C35H34O5/c1-2-38-33(36)29-15-28-9-8-27(17-32(28)40-34(29)37)26-10-11-31(39-21-22-6-4-3-5-7-22)30(16-26)35-18-23-12-24(19-35)14-25(13-23)20-35/h3-11,15-17,23-25H,2,12-14,18-21H2,1H3