aniline; methyl 3-oxidanyl-3-phenyl-butanoate

Systemtic Name: aniline; methyl 3-oxidanyl-3-phenyl-butanoate Openeye Name: aniline; methyl 3-hydroxy-3-phenyl-butanoate CAS Name: aniline; 3-hydroxy-3-phenylbutanoic acid methyl ester IUPAC Name: aniline; methyl 3-hydroxy-3-phenylbutanoate Traditional Name: 3-hydroxy-3-phenyl-butyric acid methyl ester; phenylamine Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)(C1=CC=CC=C1)O.C1=CC=C(C=C1)N

Isomeric SMILES

CC(CC(=O)OC)(C1=CC=CC=C1)O.C1=CC=C(C=C1)N

InChI

InChI=1S/C11H14O3.C6H7N/c1-11(13,8-10(12)14-2)9-6-4-3-5-7-9;7-6-4-2-1-3-5-6/h3-7,13H,8H2,1-2H3;1-5H,7H2