cyclohexylazanium; (E)-4-phenyl-3-phenylmethoxycarbonyl-but-3-enoate

Systemtic Name: cyclohexylazanium; (E)-4-phenyl-3-phenylmethoxycarbonyl-but-3-enoate Openeye Name: (E)-3-benzyloxycarbonyl-4-phenyl-but-3-enoate; cyclohexylammonium CAS Name: cyclohexylammonium; (E)-4-phenyl-3-phenylmethoxycarbonyl-3-butenoate IUPAC Name: cyclohexylazanium; (E)-4-phenyl-3-phenylmethoxycarbonylbut-3-enoate Traditional Name: (E)-3-carbobenzoxy-4-phenyl-but-3-enoate; cyclohexylammonium Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH3+].C1=CC=C(C=C1)COC(=O)C(=CC2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH3+].C1=CC=C(C=C1)COC(=O)/C(=C/C2=CC=CC=C2)/CC(=O)[O-]

InChI

InChI=1S/C18H16O4.C6H13N/c19-17(20)12-16(11-14-7-3-1-4-8-14)18(21)22-13-15-9-5-2-6-10-15;7-6-4-2-1-3-5-6/h1-11H,12-13H2,(H,19,20);6H,1-5,7H2/b16-11+;