4-methylpentyl 3-azanyl-3-phenyl-propanoate

Systemtic Name: 4-methylpentyl 3-azanyl-3-phenyl-propanoate Openeye Name: isohexyl 3-amino-3-phenyl-propanoate CAS Name: 3-amino-3-phenylpropanoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 3-amino-3-phenylpropanoate Traditional Name: 3-amino-3-phenyl-propionic acid isohexyl ester Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)CC(C1=CC=CC=C1)N

Isomeric SMILES

CC(C)CCCOC(=O)CC(C1=CC=CC=C1)N

InChI

InChI=1S/C15H23NO2/c1-12(2)7-6-10-18-15(17)11-14(16)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11,16H2,1-2H3