ethyl 4-[(3-heptoxy-5,5-dimethyl-8H-naphthalen-2-yl)-methyl-amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2CC=CC(C2=C1)(C)C)N(C)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCCCOC1=C(C=C2CC=CC(C2=C1)(C)C)N(C)C3=CC=C(C=C3)C(=O)OCC

InChI

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