2-azanyl-4-methyl-pentanoic acid; methyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-3-phenyl-propanoate

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; methyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-3-phenyl-propanoate Openeye Name: 2-amino-4-methyl-pentanoic acid; methyl 2-[(2-ethoxy-2-oxo-ethyl)amino]-3-phenyl-propanoate CAS Name: 2-amino-4-methylpentanoic acid; 2-[(2-ethoxy-2-oxoethyl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: 2-amino-4-methylpentanoic acid; methyl 2-[(2-ethoxy-2-oxoethyl)amino]-3-phenylpropanoate Traditional Name: 2-amino-4-methyl-valeric acid; 2-[(2-ethoxy-2-keto-ethyl)amino]-3-phenyl-propionic acid methyl ester Formula: C20H32N2O6 MolecularWeight: 396.47788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(CC1=CC=CC=C1)C(=O)OC.CC(C)CC(C(=O)O)N

Isomeric SMILES

CCOC(=O)CNC(CC1=CC=CC=C1)C(=O)OC.CC(C)CC(C(=O)O)N

InChI

InChI=1S/C14H19NO4.C6H13NO2/c1-3-19-13(16)10-15-12(14(17)18-2)9-11-7-5-4-6-8-11;1-4(2)3-5(7)6(8)9/h4-8,12,15H,3,9-10H2,1-2H3;4-5H,3,7H2,1-2H3,(H,8,9)