[(1R,4S)-4-[[(2S)-2-methoxy-2-phenyl-ethanoyl]amino]cyclohept-2-en-1-yl] benzoate

Systemtic Name: [(1R,4S)-4-[[(2S)-2-methoxy-2-phenyl-ethanoyl]amino]cyclohept-2-en-1-yl] benzoate Openeye Name: [(1R,4S)-4-[[(2S)-2-methoxy-2-phenyl-acetyl]amino]cyclohept-2-en-1-yl] benzoate CAS Name: benzoic acid [(1R,4S)-4-[[(2S)-2-methoxy-1-oxo-2-phenylethyl]amino]-1-cyclohept-2-enyl] ester IUPAC Name: [(1R,4S)-4-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclohept-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,4S)-4-[[(2S)-2-methoxy-2-phenyl-acetyl]amino]cyclohept-2-en-1-yl] ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)NC2CCCC(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)N[C@H]2CCC[C@H](C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO4/c1-27-21(17-9-4-2-5-10-17)22(25)24-19-13-8-14-20(16-15-19)28-23(26)18-11-6-3-7-12-18/h2-7,9-12,15-16,19-21H,8,13-14H2,1H3,(H,24,25)/t19-,20+,21-/m0/s1