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

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

Systemtic Name:4-[(3-hexoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)-propyl-amino]benzoic acid
Openeye Name:4-[(3-hexoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)-propyl-amino]benzoic acid
CAS Name:4-[(3-hexoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)-propylamino]benzoic acid
IUPAC Name:4-[(3-hexoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)-propylamino]benzoic acid
Traditional Name:4-[(3-hexoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)-propyl-amino]benzoic acid
Formula: C29H39NO3
MolecularWeight: 449.62486
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C)N(CCC)C3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CCCCCCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C)N(CCC)C3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C29H39NO3/c1-6-8-9-10-18-33-27-20-25-24(21(3)15-16-29(25,4)5)19-26(27)30(17-7-2)23-13-11-22(12-14-23)28(31)32/h11-15,19-20H,6-10,16-18H2,1-5H3,(H,31,32)


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