2-[1-tert-butyl-7-[(4-cyanophenyl)-methyl-carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[1-tert-butyl-7-[(4-cyanophenyl)-methyl-carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanoic acid Openeye Name: 2-[1-tert-butyl-7-[(4-cyanophenyl)-methyl-carbamoyl]tetralin-2-yl]acetic acid CAS Name: 2-[1-tert-butyl-7-[(4-cyano-N-methylanilino)-oxomethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid IUPAC Name: 2-[1-tert-butyl-7-[(4-cyanophenyl)-methylcarbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid Traditional Name: 2-[1-tert-butyl-7-[(4-cyanophenyl)-methyl-carbamoyl]tetralin-2-yl]acetic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(CCC2=C1C=C(C=C2)C(=O)N(C)C3=CC=C(C=C3)C#N)CC(=O)O

Isomeric SMILES

CC(C)(C)C1C(CCC2=C1C=C(C=C2)C(=O)N(C)C3=CC=C(C=C3)C#N)CC(=O)O

InChI

InChI=1S/C25H28N2O3/c1-25(2,3)23-18(14-22(28)29)9-7-17-8-10-19(13-21(17)23)24(30)27(4)20-11-5-16(15-26)6-12-20/h5-6,8,10-13,18,23H,7,9,14H2,1-4H3,(H,28,29)