methyl 3,3-dimethyl-2-naphthalen-2-yl-2-(6-phenoxypyridin-2-yl)pent-4-ynoate

Systemtic Name: methyl 3,3-dimethyl-2-naphthalen-2-yl-2-(6-phenoxypyridin-2-yl)pent-4-ynoate Openeye Name: methyl 3,3-dimethyl-2-(2-naphthyl)-2-(6-phenoxy-2-pyridyl)pent-4-ynoate CAS Name: 3,3-dimethyl-2-(2-naphthalenyl)-2-(6-phenoxy-2-pyridinyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 3,3-dimethyl-2-naphthalen-2-yl-2-(6-phenoxypyridin-2-yl)pent-4-ynoate Traditional Name: 3,3-dimethyl-2-(2-naphthyl)-2-(6-phenoxy-2-pyridyl)pent-4-ynoic acid methyl ester Formula: C29H25NO3 MolecularWeight: 435.5137

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)C(C1=CC2=CC=CC=C2C=C1)(C3=NC(=CC=C3)OC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)(C#C)C(C1=CC2=CC=CC=C2C=C1)(C3=NC(=CC=C3)OC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C29H25NO3/c1-5-28(2,3)29(27(31)32-4,23-19-18-21-12-9-10-13-22(21)20-23)25-16-11-17-26(30-25)33-24-14-7-6-8-15-24/h1,6-20H,2-4H3