4-[3-[5-(4-acetamidophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-oxidanyl-prop-1-ynyl]benzoic acid

Systemtic Name: 4-[3-[5-(4-acetamidophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-[5-(4-acetamidophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-[5-(4-acetamidophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-[5-(4-acetamidophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-[5-(4-acetamidophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxy-prop-1-ynyl]benzoic acid Formula: C30H27NO4 MolecularWeight: 465.53968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CCC(C3=C2C=CC(=C3)C(C#CC4=CC=C(C=C4)C(=O)O)O)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CCC(C3=C2C=CC(=C3)C(C#CC4=CC=C(C=C4)C(=O)O)O)(C)C

InChI

InChI=1S/C30H27NO4/c1-19(32)31-24-12-9-21(10-13-24)25-16-17-30(2,3)27-18-23(11-14-26(25)27)28(33)15-6-20-4-7-22(8-5-20)29(34)35/h4-5,7-14,16,18,28,33H,17H2,1-3H3,(H,31,32)(H,34,35)