ethyl (2S)-3-(4-aminophenyl)-2-[(4,4-dimethyl-3-oxidanylidene-cyclobuten-1-yl)amino]propanoate

Systemtic Name: ethyl (2S)-3-(4-aminophenyl)-2-[(4,4-dimethyl-3-oxidanylidene-cyclobuten-1-yl)amino]propanoate Openeye Name: ethyl (2S)-3-(4-aminophenyl)-2-[(4,4-dimethyl-3-oxo-cyclobuten-1-yl)amino]propanoate CAS Name: (2S)-3-(4-aminophenyl)-2-[(4,4-dimethyl-3-oxo-1-cyclobutenyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(4-aminophenyl)-2-[(4,4-dimethyl-3-oxocyclobuten-1-yl)amino]propanoate Traditional Name: (2S)-3-(4-aminophenyl)-2-[(3-keto-4,4-dimethyl-cyclobuten-1-yl)amino]propionic acid ethyl ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)N)NC2=CC(=O)C2(C)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)N)NC2=CC(=O)C2(C)C

InChI

InChI=1S/C17H22N2O3/c1-4-22-16(21)13(9-11-5-7-12(18)8-6-11)19-14-10-15(20)17(14,2)3/h5-8,10,13,19H,4,9,18H2,1-3H3/t13-/m0/s1