(2S)-2-benzamido-3-cyclohexa-1,4-dien-1-yl-propanoic acid

Systemtic Name: (2S)-2-benzamido-3-cyclohexa-1,4-dien-1-yl-propanoic acid Openeye Name: (2S)-2-benzamido-3-cyclohexa-1,4-dien-1-yl-propanoic acid CAS Name: (2S)-2-benzamido-3-(1-cyclohexa-1,4-dienyl)propanoic acid IUPAC Name: (2S)-2-benzamido-3-cyclohexa-1,4-dien-1-ylpropanoic acid Traditional Name: (2S)-2-benzamido-3-cyclohexa-1,4-dien-1-yl-propionic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C1C=CCC(=C1)C[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-3,5-6,8-10,14H,4,7,11H2,(H,17,18)(H,19,20)/t14-/m0/s1