(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)OC

InChI

InChI=1S/C21H25NO5/c1-14(2)11-12-26-17-10-9-16(13-18(17)25-3)21(24)27-19(20(22)23)15-7-5-4-6-8-15/h4-10,13-14,19H,11-12H2,1-3H3,(H2,22,23)