methyl (2S)-2-benzamido-3-cyclohexa-1,4-dien-1-yl-propanoate

Systemtic Name: methyl (2S)-2-benzamido-3-cyclohexa-1,4-dien-1-yl-propanoate Openeye Name: methyl (2S)-2-benzamido-3-cyclohexa-1,4-dien-1-yl-propanoate CAS Name: (2S)-2-benzamido-3-(1-cyclohexa-1,4-dienyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-benzamido-3-cyclohexa-1,4-dien-1-ylpropanoate Traditional Name: (2S)-2-benzamido-3-cyclohexa-1,4-dien-1-yl-propionic acid methyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CCC=CC1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CCC=CC1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H19NO3/c1-21-17(20)15(12-13-8-4-2-5-9-13)18-16(19)14-10-6-3-7-11-14/h2-4,6-7,9-11,15H,5,8,12H2,1H3,(H,18,19)/t15-/m0/s1