ethyl 4-[(5,5-dimethyl-8-propan-2-yl-3-propoxy-6H-naphthalen-2-yl)-ethyl-amino]benzoate

Systemtic Name: ethyl 4-[(5,5-dimethyl-8-propan-2-yl-3-propoxy-6H-naphthalen-2-yl)-ethyl-amino]benzoate Openeye Name: ethyl 4-[ethyl-(8-isopropyl-5,5-dimethyl-3-propoxy-6H-naphthalen-2-yl)amino]benzoate CAS Name: 4-[(5,5-dimethyl-8-propan-2-yl-3-propoxy-6H-naphthalen-2-yl)-ethylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5,5-dimethyl-8-propan-2-yl-3-propoxy-6H-naphthalen-2-yl)-ethylamino]benzoate Traditional Name: 4-[ethyl-(8-isopropyl-5,5-dimethyl-3-propoxy-6H-naphthalen-2-yl)amino]benzoic acid ethyl ester Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C(C)C)N(CC)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C(C)C)N(CC)C3=CC=C(C=C3)C(=O)OCC

InChI

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