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

Systemtic Name: (phenylmethyl) 6-[3-(1-adamantyl)-4-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)phenyl]naphthalene-2-carboxylate Openeye Name: benzyl 6-[3-(1-adamantyl)-4-(1-methoxycarbonylvinyl)phenyl]naphthalene-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl]-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[3-(1-adamantyl)-4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl]naphthalene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-4-(1-carbomethoxyvinyl)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(=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

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/c1-24(36(39)41-2)34-13-12-32(19-35(34)38-20-26-14-27(21-38)16-28(15-26)22-38)30-8-9-31-18-33(11-10-29(31)17-30)37(40)42-23-25-6-4-3-5-7-25/h3-13,17-19,26-28H,1,14-16,20-23H2,2H3