4-[ethyl-(3-heptoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)amino]benzoic acid

Systemtic Name: 4-[ethyl-(3-heptoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)amino]benzoic acid Openeye Name: 4-[ethyl-(3-heptoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)amino]benzoic acid CAS Name: 4-[ethyl-(3-heptoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)amino]benzoic acid IUPAC Name: 4-[ethyl-(3-heptoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)amino]benzoic acid Traditional Name: 4-[ethyl-(3-heptoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)amino]benzoic acid Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C)N(CC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C)N(CC)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C29H39NO3/c1-6-8-9-10-11-18-33-27-20-25-24(21(3)16-17-29(25,4)5)19-26(27)30(7-2)23-14-12-22(13-15-23)28(31)32/h12-16,19-20H,6-11,17-18H2,1-5H3,(H,31,32)