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

Systemtic Name: 4-[3-[5-(4-dimethylaminophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-[5-(4-dimethylaminophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-[5-(4-dimethylaminophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-[5-(4-dimethylaminophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-[5-(4-dimethylaminophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxy-prop-1-ynyl]benzoic acid Formula: C30H29NO3 MolecularWeight: 451.55616

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C(C=C2)C(C#CC3=CC=C(C=C3)C(=O)O)O)C4=CC=C(C=C4)N(C)C)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C(C=C2)C(C#CC3=CC=C(C=C3)C(=O)O)O)C4=CC=C(C=C4)N(C)C)C

InChI

InChI=1S/C30H29NO3/c1-30(2)18-17-25(21-10-13-24(14-11-21)31(3)4)26-15-12-23(19-27(26)30)28(32)16-7-20-5-8-22(9-6-20)29(33)34/h5-6,8-15,17,19,28,32H,18H2,1-4H3,(H,33,34)