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

Systemtic Name: 4-[(3-heptoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)-propyl-amino]benzoic acid Openeye Name: 4-[(3-heptoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)-propyl-amino]benzoic acid CAS Name: 4-[(3-heptoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)-propylamino]benzoic acid IUPAC Name: 4-[(3-heptoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)-propylamino]benzoic acid Traditional Name: 4-[(3-heptoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)-propyl-amino]benzoic acid Formula: C30H41NO3 MolecularWeight: 463.65144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41NO3/c1-6-8-9-10-11-19-34-28-21-26-25(22(3)16-17-30(26,4)5)20-27(28)31(18-7-2)24-14-12-23(13-15-24)29(32)33/h12-16,20-21H,6-11,17-19H2,1-5H3,(H,32,33)