(3R,4R,5S)-4-acetamido-5-azanyl-3-[3-(4-phenylphenyl)propoxy]cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-[3-(4-phenylphenyl)propoxy]cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-[3-(4-phenylphenyl)propoxy]cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-[3-(4-phenylphenyl)propoxy]-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-[3-(4-phenylphenyl)propoxy]cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-[3-(4-phenylphenyl)propoxy]cyclohexene-1-carboxylic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1OCCCC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](CC(=C[C@H]1OCCCC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C24H28N2O4/c1-16(27)26-23-21(25)14-20(24(28)29)15-22(23)30-13-5-6-17-9-11-19(12-10-17)18-7-3-2-4-8-18/h2-4,7-12,15,21-23H,5-6,13-14,25H2,1H3,(H,26,27)(H,28,29)/t21-,22+,23+/m0/s1