2-methylpropyl 4-[3-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-3-oxidanyl-prop-1-ynyl]benzoate

Systemtic Name: 2-methylpropyl 4-[3-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-3-oxidanyl-prop-1-ynyl]benzoate Openeye Name: isobutyl 4-[3-[8,8-dimethyl-5-(p-tolyl)-7H-naphthalen-2-yl]-3-hydroxy-prop-1-ynyl]benzoate CAS Name: 4-[3-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]benzoate Traditional Name: 4-[3-[8,8-dimethyl-5-(p-tolyl)-7H-naphthalen-2-yl]-3-hydroxy-prop-1-ynyl]benzoic acid isobutyl ester Formula: C33H34O3 MolecularWeight: 478.62126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CCC(C3=C2C=CC(=C3)C(C#CC4=CC=C(C=C4)C(=O)OCC(C)C)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CCC(C3=C2C=CC(=C3)C(C#CC4=CC=C(C=C4)C(=O)OCC(C)C)O)(C)C

InChI

InChI=1S/C33H34O3/c1-22(2)21-36-32(35)26-13-8-24(9-14-26)10-17-31(34)27-15-16-29-28(25-11-6-23(3)7-12-25)18-19-33(4,5)30(29)20-27/h6-9,11-16,18,20,22,31,34H,19,21H2,1-5H3