(phenylmethyl) 6-[3-(1-adamantyl)-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]naphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-[3-(1-adamantyl)-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]naphthalene-2-carboxylate Openeye Name: benzyl 6-[3-(1-adamantyl)-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]naphthalene-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[3-(1-adamantyl)-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]naphthalene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-4-[(E)-3-keto-3-methoxy-prop-1-enyl]phenyl]naphthalene-2-carboxylic acid benzyl ester Formula: C38H36O4 MolecularWeight: 556.69004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC(=O)/C=C/C1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C38H36O4/c1-41-36(39)14-13-29-7-8-33(20-35(29)38-21-26-15-27(22-38)17-28(16-26)23-38)31-9-10-32-19-34(12-11-30(32)18-31)37(40)42-24-25-5-3-2-4-6-25/h2-14,18-20,26-28H,15-17,21-24H2,1H3/b14-13+