7-(diphenylmethyl)-5-pentan-3-yloxy-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylic acid

Systemtic Name: 7-(diphenylmethyl)-5-pentan-3-yloxy-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylic acid Openeye Name: 7-benzhydryl-5-(1-ethylpropoxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylic acid CAS Name: 7-(diphenylmethyl)-5-pentan-3-yloxy-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylic acid IUPAC Name: 7-benzhydryl-5-pentan-3-yloxy-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylic acid Traditional Name: 7-benzhydryl-5-(1-ethylpropoxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylic acid Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC2C1N2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC(CC)OC1C=C(CC2C1N2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H29NO3/c1-3-20(4-2)29-22-16-19(25(27)28)15-21-24(22)26(21)23(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,20-24H,3-4,15H2,1-2H3,(H,27,28)