2-methyl-3-[[3-oxidanyl-5-(5-phenylpentan-2-yl)phenyl]amino]propanoate

Systemtic Name: 2-methyl-3-[[3-oxidanyl-5-(5-phenylpentan-2-yl)phenyl]amino]propanoate Openeye Name: 3-[3-hydroxy-5-(1-methyl-4-phenyl-butyl)anilino]-2-methyl-propanoate CAS Name: 3-[3-hydroxy-5-(5-phenylpentan-2-yl)anilino]-2-methylpropanoate IUPAC Name: 3-[3-hydroxy-5-(5-phenylpentan-2-yl)anilino]-2-methylpropanoate Traditional Name: 3-[3-hydroxy-5-(1-methyl-4-phenyl-butyl)anilino]-2-methyl-propionate Formula: C21H26NO3- MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)C2=CC(=CC(=C2)O)NCC(C)C(=O)[O-]

Isomeric SMILES

CC(CCCC1=CC=CC=C1)C2=CC(=CC(=C2)O)NCC(C)C(=O)[O-]

InChI

InChI=1S/C21H27NO3/c1-15(7-6-10-17-8-4-3-5-9-17)18-11-19(13-20(23)12-18)22-14-16(2)21(24)25/h3-5,8-9,11-13,15-16,22-23H,6-7,10,14H2,1-2H3,(H,24,25)/p-1