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

Systemtic Name: 4-[3-[5-(4-dimethylaminophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-oxidanyl-prop-1-ynyl]-3-oxidanyl-benzoic acid Openeye Name: 4-[3-[5-(4-dimethylaminophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxy-prop-1-ynyl]-3-hydroxy-benzoic acid CAS Name: 4-[3-[5-(4-dimethylaminophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]-3-hydroxybenzoic acid IUPAC Name: 4-[3-[5-(4-dimethylaminophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]-3-hydroxybenzoic acid Traditional Name: 4-[3-[5-(4-dimethylaminophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]-3-hydroxy-prop-1-ynyl]-3-hydroxy-benzoic acid Formula: C30H29NO4 MolecularWeight: 467.55556

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H29NO4/c1-30(2)16-15-24(19-7-11-23(12-8-19)31(3)4)25-13-9-21(17-26(25)30)27(32)14-10-20-5-6-22(29(34)35)18-28(20)33/h5-9,11-13,15,17-18,27,32-33H,16H2,1-4H3,(H,34,35)