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

Systemtic Name: [3-(1-adamantyl)-4-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)phenyl] naphthalene-2-carboxylate Openeye Name: [3-(1-adamantyl)-4-(1-methoxycarbonylvinyl)phenyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [3-(1-adamantyl)-4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl] ester IUPAC Name: [3-(1-adamantyl)-4-(3-methoxy-3-oxoprop-1-en-2-yl)phenyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [3-(1-adamantyl)-4-(1-carbomethoxyvinyl)phenyl] ester Formula: C31H30O4 MolecularWeight: 466.5675

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C)C1=C(C=C(C=C1)OC(=O)C2=CC3=CC=CC=C3C=C2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C(=C)C1=C(C=C(C=C1)OC(=O)C2=CC3=CC=CC=C3C=C2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H30O4/c1-19(29(32)34-2)27-10-9-26(35-30(33)25-8-7-23-5-3-4-6-24(23)14-25)15-28(27)31-16-20-11-21(17-31)13-22(12-20)18-31/h3-10,14-15,20-22H,1,11-13,16-18H2,2H3