2-[carboxy-[2-(4-phenoxyphenyl)ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-(4-phenoxyphenyl)ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-(4-phenoxyphenyl)ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-(4-phenoxyphenyl)ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-(4-phenoxyphenyl)ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-(4-phenoxyphenyl)ethyl]amino]-4-methyl-valeric acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H25NO5/c1-15(2)14-19(20(23)24)22(21(25)26)13-12-16-8-10-18(11-9-16)27-17-6-4-3-5-7-17/h3-11,15,19H,12-14H2,1-2H3,(H,23,24)(H,25,26)