4-[(7-ethyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-methyl-amino]benzoic acid

Systemtic Name: 4-[(7-ethyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-methyl-amino]benzoic acid Openeye Name: 4-[(7-ethyl-3,3-dimethyl-2H-benzofuran-5-yl)-methyl-amino]benzoic acid CAS Name: 4-[(7-ethyl-3,3-dimethyl-2H-benzofuran-5-yl)-methylamino]benzoic acid IUPAC Name: 4-[(7-ethyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-methylamino]benzoic acid Traditional Name: 4-[(7-ethyl-3,3-dimethyl-coumaran-5-yl)-methyl-amino]benzoic acid Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)N(C)C3=CC=C(C=C3)C(=O)O)C(CO2)(C)C

Isomeric SMILES

CCC1=C2C(=CC(=C1)N(C)C3=CC=C(C=C3)C(=O)O)C(CO2)(C)C

InChI

InChI=1S/C20H23NO3/c1-5-13-10-16(11-17-18(13)24-12-20(17,2)3)21(4)15-8-6-14(7-9-15)19(22)23/h6-11H,5,12H2,1-4H3,(H,22,23)