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

Systemtic Name: 4-[(5,5-dimethyl-8-propan-2-yl-3-propoxy-6H-naphthalen-2-yl)-ethyl-amino]benzoic acid Openeye Name: 4-[ethyl-(8-isopropyl-5,5-dimethyl-3-propoxy-6H-naphthalen-2-yl)amino]benzoic acid CAS Name: 4-[(5,5-dimethyl-8-propan-2-yl-3-propoxy-6H-naphthalen-2-yl)-ethylamino]benzoic acid IUPAC Name: 4-[(5,5-dimethyl-8-propan-2-yl-3-propoxy-6H-naphthalen-2-yl)-ethylamino]benzoic acid Traditional Name: 4-[ethyl-(8-isopropyl-5,5-dimethyl-3-propoxy-6H-naphthalen-2-yl)amino]benzoic acid Formula: C27H35NO3 MolecularWeight: 421.5717

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO3/c1-7-15-31-25-17-23-22(21(18(3)4)13-14-27(23,5)6)16-24(25)28(8-2)20-11-9-19(10-12-20)26(29)30/h9-13,16-18H,7-8,14-15H2,1-6H3,(H,29,30)