5-[2-[tert-butyl-(phenylmethyl)amino]ethanoyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[2-[tert-butyl-(phenylmethyl)amino]ethanoyl]-2-methoxy-benzoic acid Openeye Name: 5-[2-[benzyl(tert-butyl)amino]acetyl]-2-methoxy-benzoic acid CAS Name: 5-[2-[tert-butyl-(phenylmethyl)amino]-1-oxoethyl]-2-methoxybenzoic acid IUPAC Name: 5-[2-[benzyl(tert-butyl)amino]acetyl]-2-methoxybenzoic acid Traditional Name: 5-[2-[benzyl(tert-butyl)amino]acetyl]-2-methoxy-benzoic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)CC(=O)C2=CC(=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)CC(=O)C2=CC(=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C21H25NO4/c1-21(2,3)22(13-15-8-6-5-7-9-15)14-18(23)16-10-11-19(26-4)17(12-16)20(24)25/h5-12H,13-14H2,1-4H3,(H,24,25)