4-(1-phenylcyclopentyl)carbonylbenzoate; [(1S)-1-phenylethyl]azanium

Systemtic Name: 4-(1-phenylcyclopentyl)carbonylbenzoate; [(1S)-1-phenylethyl]azanium Openeye Name: 4-(1-phenylcyclopentanecarbonyl)benzoate; [(1S)-1-phenylethyl]ammonium CAS Name: 4-[oxo-(1-phenylcyclopentyl)methyl]benzoate; [(1S)-1-phenylethyl]ammonium IUPAC Name: 4-(1-phenylcyclopentanecarbonyl)benzoate; [(1S)-1-phenylethyl]azanium Traditional Name: 4-(1-phenylcyclopentanecarbonyl)benzoate; [(1S)-1-phenylethyl]ammonium Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH3+].C1CCC(C1)(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH3+].C1CCC(C1)(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H18O3.C8H11N/c20-17(14-8-10-15(11-9-14)18(21)22)19(12-4-5-13-19)16-6-2-1-3-7-16;1-7(9)8-5-3-2-4-6-8/h1-3,6-11H,4-5,12-13H2,(H,21,22);2-7H,9H2,1H3/t;7-/m.0/s1